N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide

C19H17FN2O — CID 46520271

IUPACN-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1
InChIInChI=1S/C19H17FN2O/c1-3-13-4-8-16(9-5-13)22-19(23)17-10-14-6-7-15(20)11-18(14)21-12(17)2/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyIBTNSAGSNXELQI-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.50
Rot. Bonds3

About N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide

N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 46520271) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID46520271
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1
InChIInChI=1S/C19H17FN2O/c1-3-13-4-8-16(9-5-13)22-19(23)17-10-14-6-7-15(20)11-18(14)21-12(17)2/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyIBTNSAGSNXELQI-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520644
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
7-fluoro-2-methyl-N-(2-propoxyphenyl)quinoline-3-carboxamide
CID 46808171
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 86901460
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 24567233
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide (CID 46520271) is N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide is CCc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is IBTNSAGSNXELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-3-13-4-8-16(9-5-13)22-19(23)17-10-14-6-7-15(20)11-18(14)21-12(17)2/h4-11H,3H2,1-2H3,(H,22,23).
What are the key properties of N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide?
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46520271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).