8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide

C17H13FN2O — CID 110489691

IUPAC8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(F)cccc3c2)cc1
InChIInChI=1S/C17H13FN2O/c1-11-5-7-14(8-6-11)20-17(21)13-9-12-3-2-4-15(18)16(12)19-10-13/h2-10H,1H3,(H,20,21)
InChIKeyRHMMTKXMGUUVLM-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.93
Rot. Bonds2

About 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide

8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide (PubChem CID 110489691) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
PubChem CID110489691
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(F)cccc3c2)cc1
InChIInChI=1S/C17H13FN2O/c1-11-5-7-14(8-6-11)20-17(21)13-9-12-3-2-4-15(18)16(12)19-10-13/h2-10H,1H3,(H,20,21)
InChIKeyRHMMTKXMGUUVLM-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

8-fluoro-N-pyridin-4-ylquinoline-3-carboxamide
CID 110489666
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489843
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide
CID 154795411
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide
CID 156852266
N-(4-ethyl-2,6-dimethylhepta-1,6-dien-4-yl)-8-fluoroquinoline-3-carboxamide
CID 162488168
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide (CID 110489691) is 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide is Cc1ccc(NC(=O)c2cnc3c(F)cccc3c2)cc1.
What is the InChIKey of 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide?
The InChIKey is RHMMTKXMGUUVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11-5-7-14(8-6-11)20-17(21)13-9-12-3-2-4-15(18)16(12)19-10-13/h2-10H,1H3,(H,20,21).
What are the key properties of 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide?
8-fluoro-N-(4-methylphenyl)quinoline-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 8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 110489691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).