Name: Name:1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG0027CF
Rating: 90 (10 reviews)

1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-, 1,1-dimethylethyl ester

CAS No.:

179898-87-4

Catalog Number:

AG0027CF

Molecular Formula:

C16H21NO3

Molecular Weight:

275.3428

Catalog Number:

AG0027CF

Chemical Name:

1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-, 1,1-dimethylethyl ester

CAS Number:

179898-87-4

Molecular Formula:

C16H21NO3

Molecular Weight:

275.3428

MDL Number:

MFCD09264186

IUPAC Name:

tert-butyl 2,2-dimethyl-4-oxo-3H-quinoline-1-carboxylate

InChI:

InChI=1S/C16H21NO3/c1-15(2,3)20-14(19)17-12-9-7-6-8-11(12)13(18)10-16(17,4)5/h6-9H,10H2,1-5H3

InChI Key:

KUMFMTLVOBDOIB-UHFFFAOYSA-N

SMILES:

O=C(N1c2ccccc2C(=O)CC1(C)C)OC(C)(C)C

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.348g/mol

Monoisotopic Mass:

275.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8