N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide

C19H17FN2O — CID 9046354

IUPACN-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccccc2c(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O/c1-12-16-5-3-4-6-17(16)22-13(2)18(12)19(23)21-11-14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyYYWWMEZGRLZGLP-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.92
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide

N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide (PubChem CID 9046354) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
PubChem CID9046354
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccccc2c(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O/c1-12-16-5-3-4-6-17(16)22-13(2)18(12)19(23)21-11-14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyYYWWMEZGRLZGLP-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 18203251
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide
CID 90172953
2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
CID 9192896
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol
CID 91334790
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide (CID 9046354) is N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide is Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide?
The InChIKey is YYWWMEZGRLZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-12-16-5-3-4-6-17(16)22-13(2)18(12)19(23)21-11-14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 9046354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).