7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C21H22FN3O3 — CID 86920168

IUPAC7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C21H22FN3O3/c1-12(2)11-23-20(27)15-5-3-4-6-17(15)25-21(28)16-10-19(26)24-18-9-13(22)7-8-14(16)18/h3-9,12,16H,10-11H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyXSWTZVXPZMYARB-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.28
Rot. Bonds5

About 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 86920168) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID86920168
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C21H22FN3O3/c1-12(2)11-23-20(27)15-5-3-4-6-17(15)25-21(28)16-10-19(26)24-18-9-13(22)7-8-14(16)18/h3-9,12,16H,10-11H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyXSWTZVXPZMYARB-UHFFFAOYSA-N
XLogP3.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154878580
N-(2,2-dimethyl-4-oxo-3H-chromen-8-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154850187
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119252685
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 34952145
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 120650314
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42934604

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 86920168) is 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(C)CNC(=O)c1ccccc1NC(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is XSWTZVXPZMYARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-12(2)11-23-20(27)15-5-3-4-6-17(15)25-21(28)16-10-19(26)24-18-9-13(22)7-8-14(16)18/h3-9,12,16H,10-11H2,1-2H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 86920168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).