6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide

C18H15FN2O — CID 122686140

IUPAC6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide
SMILESCN(C)C(=O)c1c(-c2ccccc2)cnc2ccc(F)cc12
InChIInChI=1S/C18H15FN2O/c1-21(2)18(22)17-14-10-13(19)8-9-16(14)20-11-15(17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyDJTUTYKJWNCXNR-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.74
Rot. Bonds2

About 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide

6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide (PubChem CID 122686140) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide
PubChem CID122686140
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide
SMILESCN(C)C(=O)c1c(-c2ccccc2)cnc2ccc(F)cc12
InChIInChI=1S/C18H15FN2O/c1-21(2)18(22)17-14-10-13(19)8-9-16(14)20-11-15(17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyDJTUTYKJWNCXNR-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
CID 15085956
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide
CID 110489844
6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate
CID 91930963
2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide
CID 67628523
N,N-dimethylacridine-9-carboxamide
CID 125496081
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 86309017
2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide
CID 67512152
8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 94073785
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetic acid
CID 1136287
6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 87930625
4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
CID 73012700

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide (CID 122686140) is 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide is CN(C)C(=O)c1c(-c2ccccc2)cnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide?
The InChIKey is DJTUTYKJWNCXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-21(2)18(22)17-14-10-13(19)8-9-16(14)20-11-15(17)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide?
6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide is sourced from PubChem (CID 122686140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).