N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide

C21H20FN3O3 — CID 146090066

IUPACN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(N2CCCC2=O)c(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1
InChIInChI=1S/C21H20FN3O3/c1-12-4-6-18(25-8-2-3-20(25)27)14(9-12)21(28)24-17-10-13-5-7-19(26)23-16(13)11-15(17)22/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,23,26)(H,24,28)
InChIKeyARBOWVPZALAQKV-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.40
Rot. Bonds3

About N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 146090066) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID146090066
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(N2CCCC2=O)c(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1
InChIInChI=1S/C21H20FN3O3/c1-12-4-6-18(25-8-2-3-20(25)27)14(9-12)21(28)24-17-10-13-5-7-19(26)23-16(13)11-15(17)22/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,23,26)(H,24,28)
InChIKeyARBOWVPZALAQKV-UHFFFAOYSA-N
XLogP3.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-propylbenzamide
CID 146350520
1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
1-(3,5-dimethylphenyl)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methylpyrazole-3-carboxamide
CID 119043799
7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55895424
N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119044161
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide
CID 86801882
6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide
CID 75510934
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea
CID 99585473
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 111912006
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide (CID 146090066) is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(N2CCCC2=O)c(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1.
What is the InChIKey of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ARBOWVPZALAQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-12-4-6-18(25-8-2-3-20(25)27)14(9-12)21(28)24-17-10-13-5-7-19(26)23-16(13)11-15(17)22/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 381.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 146090066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).