Name: Name:N-(3-(2-((2,3-Difluoro-4-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide
Brand: Angene
SKU: AG001WH2
Rating: 90 (10 reviews)

N-(3-(2-((2,3-Difluoro-4-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide

CAS No.:

1660963-42-7

Catalog Number:

AG001WH2

Molecular Formula:

C29H28F2N6O2

Molecular Weight:

530.5684

Catalog Number:

AG001WH2

Chemical Name:

N-(3-(2-((2,3-Difluoro-4-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide

CAS Number:

1660963-42-7

Molecular Formula:

C29H28F2N6O2

Molecular Weight:

530.5684

MDL Number:

MFCD30345533

IUPAC Name:

N-[3-[2-[2,3-difluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide

InChI:

InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)

InChI Key:

IDRGFNPZDVBSSE-UHFFFAOYSA-N

SMILES:

OCCN1CCN(CC1)c1ccc(c(c1F)F)Nc1ncc2c(n1)c(ccc2)c1cccc(c1)NC(=O)C=C

UNII:

708TLB8J3Y

Complexity:

815

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

530.224g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

530.58g/mol

Monoisotopic Mass:

530.224g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3