(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide

C22H20FN3O2 — CID 6976213

IUPAC(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)ccc2n1
InChIInChI=1S/C22H20FN3O2/c1-14-2-5-16-10-19(8-9-20(16)24-14)25-22(28)17-11-21(27)26(13-17)12-15-3-6-18(23)7-4-15/h2-10,17H,11-13H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyKICGANUKTSFISL-QGZVFWFLSA-N
MW377.42 g/mol
LogP3.67
Rot. Bonds4

About (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6976213) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6976213
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)ccc2n1
InChIInChI=1S/C22H20FN3O2/c1-14-2-5-16-10-19(8-9-20(16)24-14)25-22(28)17-11-21(27)26(13-17)12-15-3-6-18(23)7-4-15/h2-10,17H,11-13H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyKICGANUKTSFISL-QGZVFWFLSA-N
XLogP3.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183590
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
N-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183578
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39346774
N-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132865
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
(3R)-1-benzyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2466486
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3R)-1-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017753
1-[(4-fluorophenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42654592
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 6976213) is (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)ccc2n1.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KICGANUKTSFISL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-14-2-5-16-10-19(8-9-20(16)24-14)25-22(28)17-11-21(27)26(13-17)12-15-3-6-18(23)7-4-15/h2-10,17H,11-13H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6976213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).