7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C21H19ClN2O3 — CID 134139779

IUPAC7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)C1CC(C2=CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1
InChIInChI=1S/C21H19ClN2O3/c22-13-8-9-15-17(12-19(21(26)27)23-18(15)11-13)16-7-4-10-24(20(16)25)14-5-2-1-3-6-14/h1-3,5-9,11,17,19,23H,4,10,12H2,(H,26,27)
InChIKeyKJGLZIKUPDWSJQ-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.06
Rot. Bonds3

About 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 134139779) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID134139779
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)C1CC(C2=CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1
InChIInChI=1S/C21H19ClN2O3/c22-13-8-9-15-17(12-19(21(26)27)23-18(15)11-13)16-7-4-10-24(20(16)25)14-5-2-1-3-6-14/h1-3,5-9,11,17,19,23H,4,10,12H2,(H,26,27)
InChIKeyKJGLZIKUPDWSJQ-UHFFFAOYSA-N
XLogP4.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid with MolForge

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Related Compounds

[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] (2R,4S)-7-chloro-4-(5-oxo-1-phenyl-2H-pyrrol-4-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 11049330
(2S,4S)-7-chloro-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 15168466
sodium (4Z)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylate
CID 23676243
6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 22745096
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide
CID 53135565
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95352964
(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
CID 96839975
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551475
(4E)-4-(2-anilino-2-oxoethylidene)-7-chloro-2,3-dihydro-1H-quinoline-2-carboxylic acid
CID 15890196
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130664684

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 134139779) is 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(O)C1CC(C2=CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1.
What is the InChIKey of 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is KJGLZIKUPDWSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-13-8-9-15-17(12-19(21(26)27)23-18(15)11-13)16-7-4-10-24(20(16)25)14-5-2-1-3-6-14/h1-3,5-9,11,17,19,23H,4,10,12H2,(H,26,27).
What are the key properties of 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 382.85 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(6-oxo-1-phenyl-2,3-dihydropyridin-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 134139779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).