6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide

C17H13FN2O — CID 110489844

IUPAC6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide
SMILESCN(C(=O)c1cnc2ccc(F)cc2c1)c1ccccc1
InChIInChI=1S/C17H13FN2O/c1-20(15-5-3-2-4-6-15)17(21)13-9-12-10-14(18)7-8-16(12)19-11-13/h2-11H,1H3
InChIKeyBJLVCZLRIGOSMO-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.65
Rot. Bonds2

About 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide

6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide (PubChem CID 110489844) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide
PubChem CID110489844
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide
SMILESCN(C(=O)c1cnc2ccc(F)cc2c1)c1ccccc1
InChIInChI=1S/C17H13FN2O/c1-20(15-5-3-2-4-6-15)17(21)13-9-12-10-14(18)7-8-16(12)19-11-13/h2-11H,1H3
InChIKeyBJLVCZLRIGOSMO-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide (CID 110489844) is 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide is CN(C(=O)c1cnc2ccc(F)cc2c1)c1ccccc1.
What is the InChIKey of 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide?
The InChIKey is BJLVCZLRIGOSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-20(15-5-3-2-4-6-15)17(21)13-9-12-10-14(18)7-8-16(12)19-11-13/h2-11H,1H3.
What are the key properties of 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide?
6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 110489844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).