N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide

C21H18ClN3O2 — CID 95709758

IUPACN-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cnc2ccccc2c1
InChIInChI=1S/C21H18ClN3O2/c22-18-7-3-1-6-15(18)12-25-13-17(10-20(25)26)24-21(27)16-9-14-5-2-4-8-19(14)23-11-16/h1-9,11,17H,10,12-13H2,(H,24,27)/t17-/m1/s1
InChIKeyAQWCAZLZNQNPDB-QGZVFWFLSA-N
MW379.85 g/mol
LogP3.42
Rot. Bonds4

About N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide

N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide (PubChem CID 95709758) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
PubChem CID95709758
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cnc2ccccc2c1
InChIInChI=1S/C21H18ClN3O2/c22-18-7-3-1-6-15(18)12-25-13-17(10-20(25)26)24-21(27)16-9-14-5-2-4-8-19(14)23-11-16/h1-9,11,17H,10,12-13H2,(H,24,27)/t17-/m1/s1
InChIKeyAQWCAZLZNQNPDB-QGZVFWFLSA-N
XLogP3.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 28785782
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 45177959
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 45238063
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333932
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
5-chloro-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 95712863
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95710228
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide (CID 95709758) is N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide is O=C(N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cnc2ccccc2c1.
What is the InChIKey of N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide?
The InChIKey is AQWCAZLZNQNPDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-18-7-3-1-6-15(18)12-25-13-17(10-20(25)26)24-21(27)16-9-14-5-2-4-8-19(14)23-11-16/h1-9,11,17H,10,12-13H2,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide?
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 95709758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).