6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide

C22H20FN3O2 — CID 131889668

IUPAC6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(N3C(=O)CCC3C)c2)c2cc(F)ccc2n1
InChIInChI=1S/C22H20FN3O2/c1-13-10-19(18-11-15(23)7-8-20(18)24-13)22(28)25-16-4-3-5-17(12-16)26-14(2)6-9-21(26)27/h3-5,7-8,10-12,14H,6,9H2,1-2H3,(H,25,28)
InChIKeyPJLKKYFKDATFCR-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.45
Rot. Bonds3

About 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide

6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide (PubChem CID 131889668) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide
PubChem CID131889668
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(N3C(=O)CCC3C)c2)c2cc(F)ccc2n1
InChIInChI=1S/C22H20FN3O2/c1-13-10-19(18-11-15(23)7-8-20(18)24-13)22(28)25-16-4-3-5-17(12-16)26-14(2)6-9-21(26)27/h3-5,7-8,10-12,14H,6,9H2,1-2H3,(H,25,28)
InChIKeyPJLKKYFKDATFCR-UHFFFAOYSA-N
XLogP4.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-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

6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131907566
3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide
CID 169413011
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
CID 164641938
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108802472
N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55607065

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide (CID 131889668) is 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2cccc(N3C(=O)CCC3C)c2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide?
The InChIKey is PJLKKYFKDATFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-13-10-19(18-11-15(23)7-8-20(18)24-13)22(28)25-16-4-3-5-17(12-16)26-14(2)6-9-21(26)27/h3-5,7-8,10-12,14H,6,9H2,1-2H3,(H,25,28).
What are the key properties of 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide?
6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 131889668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).