1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid

C18H16FNO3 — CID 69401406

IUPAC1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCC1CC(C(=O)O)c2ccccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c1-11-10-15(18(22)23)14-4-2-3-5-16(14)20(11)17(21)12-6-8-13(19)9-7-12/h2-9,11,15H,10H2,1H3,(H,22,23)
InChIKeyCMNREDSZTZMFQP-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid

1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 69401406) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID69401406
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCC1CC(C(=O)O)c2ccccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c1-11-10-15(18(22)23)14-4-2-3-5-16(14)20(11)17(21)12-6-8-13(19)9-7-12/h2-9,11,15H,10H2,1H3,(H,22,23)
InChIKeyCMNREDSZTZMFQP-UHFFFAOYSA-N
XLogP3.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401928
(2S,4R)-1-methoxycarbonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136585449
benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 68918237
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methyl-N-phenylbutanamide
CID 58859900
[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 69402619
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
CID 21093065
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
CID 58859828
(2S,4S)-4-(N-acetylanilino)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 21092994
N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 69401991
(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732818

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 69401406) is 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid is CC1CC(C(=O)O)c2ccccc2N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is CMNREDSZTZMFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-11-10-15(18(22)23)14-4-2-3-5-16(14)20(11)17(21)12-6-8-13(19)9-7-12/h2-9,11,15H,10H2,1H3,(H,22,23).
What are the key properties of 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 69401406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).