Name: Name:2-Propenenitrile, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-
Brand: Angene
SKU: AG00I4WA
Rating: 90 (10 reviews)

2-Propenenitrile, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-

CAS No.:

256431-72-8

Catalog Number:

AG00I4WA

Molecular Formula:

C21H15FN2

Molecular Weight:

314.3556

Catalog Number:

AG00I4WA

Chemical Name:

2-Propenenitrile, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-

CAS Number:

256431-72-8

Molecular Formula:

C21H15FN2

Molecular Weight:

314.3556

MDL Number:

MFCD11042688

IUPAC Name:

(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enenitrile

InChI:

InChI=1S/C21H15FN2/c22-16-11-9-14(10-12-16)20-17-4-1-2-6-19(17)24-21(15-7-8-15)18(20)5-3-13-23/h1-6,9-12,15H,7-8H2/b5-3+

InChI Key:

BFDPBLWCXIOOLM-HWKANZROSA-N

SMILES:

N#C/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1

EC Number:

607-769-7

Complexity:

509

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.363g/mol

Monoisotopic Mass:

314.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6