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

C17H13FN2O — CID 110489843

IUPAC6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1
InChIInChI=1S/C17H13FN2O/c1-11-2-5-15(6-3-11)20-17(21)13-8-12-9-14(18)4-7-16(12)19-10-13/h2-10H,1H3,(H,20,21)
InChIKeyLJQGQDYCNLASDK-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.93
Rot. Bonds2

About 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide

6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide (PubChem CID 110489843) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
PubChem CID110489843
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1
InChIInChI=1S/C17H13FN2O/c1-11-2-5-15(6-3-11)20-17(21)13-8-12-9-14(18)4-7-16(12)19-10-13/h2-10H,1H3,(H,20,21)
InChIKeyLJQGQDYCNLASDK-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide (CID 110489843) is 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide is Cc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1.
What is the InChIKey of 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide?
The InChIKey is LJQGQDYCNLASDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11-2-5-15(6-3-11)20-17(21)13-8-12-9-14(18)4-7-16(12)19-10-13/h2-10H,1H3,(H,20,21).
What are the key properties of 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide?
6-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 6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 110489843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).