4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide

C23H22ClN5O2 — CID 169416286

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(cc1N1CCCC1)NC(=O)CC2c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN5O2/c24-14-5-3-13(4-6-14)22-18(12-26-28-22)15-10-21(30)27-19-11-20(29-7-1-2-8-29)17(23(25)31)9-16(15)19/h3-6,9,11-12,15H,1-2,7-8,10H2,(H2,25,31)(H,26,28)(H,27,30)
InChIKeyIJCBGLMQBCZYPY-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.90
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide

4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 169416286) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID169416286
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(cc1N1CCCC1)NC(=O)CC2c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN5O2/c24-14-5-3-13(4-6-14)22-18(12-26-28-22)15-10-21(30)27-19-11-20(29-7-1-2-8-29)17(23(25)31)9-16(15)19/h3-6,9,11-12,15H,1-2,7-8,10H2,(H2,25,31)(H,26,28)(H,27,30)
InChIKeyIJCBGLMQBCZYPY-UHFFFAOYSA-N
XLogP3.90
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95140597
(4R)-2-oxo-4-piperidin-4-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95149170
(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219861
(4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95119603
(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95132095
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 95211804
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95144233
1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine
CID 117209926
4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide
CID 69277245
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632655

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (CID 169416286) is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is NC(=O)c1cc2c(cc1N1CCCC1)NC(=O)CC2c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is IJCBGLMQBCZYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c24-14-5-3-13(4-6-14)22-18(12-26-28-22)15-10-21(30)27-19-11-20(29-7-1-2-8-29)17(23(25)31)9-16(15)19/h3-6,9,11-12,15H,1-2,7-8,10H2,(H2,25,31)(H,26,28)(H,27,30).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 169416286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).