4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide

C23H19FN2O2 — CID 126593898

IUPAC4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2F)c2c(C)c(-c3ccoc3)c(C)cc2n1
InChIInChI=1S/C23H19FN2O2/c1-13-10-19-22(14(2)21(13)15-8-9-28-12-15)17(11-20(26-19)23(27)25-3)16-6-4-5-7-18(16)24/h4-12H,1-3H3,(H,25,27)
InChIKeySQAPPXRBVXRMRT-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.28
Rot. Bonds3

About 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide

4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide (PubChem CID 126593898) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide
PubChem CID126593898
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2F)c2c(C)c(-c3ccoc3)c(C)cc2n1
InChIInChI=1S/C23H19FN2O2/c1-13-10-19-22(14(2)21(13)15-8-9-28-12-15)17(11-20(26-19)23(27)25-3)16-6-4-5-7-18(16)24/h4-12H,1-3H3,(H,25,27)
InChIKeySQAPPXRBVXRMRT-UHFFFAOYSA-N
XLogP5.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
CID 126594085
8-amino-6-(2-fluorophenyl)-N-methyl-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 148560609
3-(2,6-difluorophenyl)furan
CID 76539731
N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3,6-dimethyl-2-(4-methyl-2-pyridinyl)benzamide
CID 118518797
7-(2-fluorophenyl)-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079633
1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine
CID 68746857
7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690900
2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
CID 114830937
4-[2-(3-fluoro-2-methylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254892
7-fluoro-6-(furan-3-yl)quinoline
CID 166320278
1-(3,5-dichlorophenyl)-N-methylimidazole-4-carboxamide;1-fluoro-2,3-dimethylbenzene;formaldehyde
CID 142342272
N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
CID 112722856

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide (CID 126593898) is 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide is CNC(=O)c1cc(-c2ccccc2F)c2c(C)c(-c3ccoc3)c(C)cc2n1.
What is the InChIKey of 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide?
The InChIKey is SQAPPXRBVXRMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-13-10-19-22(14(2)21(13)15-8-9-28-12-15)17(11-20(26-19)23(27)25-3)16-6-4-5-7-18(16)24/h4-12H,1-3H3,(H,25,27).
What are the key properties of 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide?
4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-(furan-3-yl)-N,5,7-trimethylquinoline-2-carboxamide is sourced from PubChem (CID 126593898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).