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

C18H17FN2O2 — CID 18136813

IUPAC7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C18H17FN2O2/c1-11-4-2-3-5-12(11)10-20-18(23)15-9-17(22)21-16-8-13(19)6-7-14(15)16/h2-8,15H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyASYMBOJWKFYIHB-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.88
Rot. Bonds3

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

7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18136813) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18136813
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C18H17FN2O2/c1-11-4-2-3-5-12(11)10-20-18(23)15-9-17(22)21-16-8-13(19)6-7-14(15)16/h2-8,15H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyASYMBOJWKFYIHB-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42931734
(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434450
7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46470691
(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434866
7-fluoro-2-oxo-N-[(3-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167920082
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16599735
(4R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51956671
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41412645
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167907158
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17492148

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18136813) is 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1ccccc1CNC(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ASYMBOJWKFYIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-4-2-3-5-12(11)10-20-18(23)15-9-17(22)21-16-8-13(19)6-7-14(15)16/h2-8,15H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18136813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).