2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide

C25H21FN2O3 — CID 3504792

IUPAC2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cc(F)ccc3C)c3ccccc3n2)c1
InChIInChI=1S/C25H21FN2O3/c1-15-8-9-16(26)12-22(15)28-25(29)19-14-23(27-21-7-5-4-6-18(19)21)20-13-17(30-2)10-11-24(20)31-3/h4-14H,1-3H3,(H,28,29)
InChIKeyPIDPFTJIJJJLDB-UHFFFAOYSA-N
MW416.45 g/mol
LogP5.62
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide

2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide (PubChem CID 3504792) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide
PubChem CID3504792
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cc(F)ccc3C)c3ccccc3n2)c1
InChIInChI=1S/C25H21FN2O3/c1-15-8-9-16(26)12-22(15)28-25(29)19-14-23(27-21-7-5-4-6-18(19)21)20-13-17(30-2)10-11-24(20)31-3/h4-14H,1-3H3,(H,28,29)
InChIKeyPIDPFTJIJJJLDB-UHFFFAOYSA-N
XLogP5.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1225718
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide (CID 3504792) is 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(F)ccc3C)c3ccccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is PIDPFTJIJJJLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-15-8-9-16(26)12-22(15)28-25(29)19-14-23(27-21-7-5-4-6-18(19)21)20-13-17(30-2)10-11-24(20)31-3/h4-14H,1-3H3,(H,28,29).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide?
2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3504792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).