N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide

C17H13FN2O — CID 2140491

IUPACN-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H13FN2O/c1-11-15(9-12-5-2-3-8-16(12)19-11)17(21)20-14-7-4-6-13(18)10-14/h2-10H,1H3,(H,20,21)
InChIKeyMKKVTCKUBVZPTF-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.93
Rot. Bonds2

About N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide

N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide (PubChem CID 2140491) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
PubChem CID2140491
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC NameN-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H13FN2O/c1-11-15(9-12-5-2-3-8-16(12)19-11)17(21)20-14-7-4-6-13(18)10-14/h2-10H,1H3,(H,20,21)
InChIKeyMKKVTCKUBVZPTF-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide
CID 86981159
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
N-(3-acetamidophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110861356
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
CID 86982673
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 86901460
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 34319138
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide (CID 2140491) is N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide?
The InChIKey is MKKVTCKUBVZPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11-15(9-12-5-2-3-8-16(12)19-11)17(21)20-14-7-4-6-13(18)10-14/h2-10H,1H3,(H,20,21).
What are the key properties of N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide?
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 2140491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).