8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C25H19FN4O3 — CID 142435861

IUPAC8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(F)cc2c(O)c(C(=O)Nc3ccc(C#N)cc3)c(=O)[nH]c12
InChIInChI=1S/C25H19FN4O3/c1-30(14-16-5-3-2-4-6-16)20-12-17(26)11-19-22(20)29-25(33)21(23(19)31)24(32)28-18-9-7-15(13-27)8-10-18/h2-12H,14H2,1H3,(H,28,32)(H2,29,31,33)
InChIKeyCQYXDBXNBMEORX-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.13
Rot. Bonds5

About 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 142435861) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID142435861
Molecular FormulaC25H19FN4O3
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC Name8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(F)cc2c(O)c(C(=O)Nc3ccc(C#N)cc3)c(=O)[nH]c12
InChIInChI=1S/C25H19FN4O3/c1-30(14-16-5-3-2-4-6-16)20-12-17(26)11-19-22(20)29-25(33)21(23(19)31)24(32)28-18-9-7-15(13-27)8-10-18/h2-12H,14H2,1H3,(H,28,32)(H2,29,31,33)
InChIKeyCQYXDBXNBMEORX-UHFFFAOYSA-N
XLogP4.13
TPSA109.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 142435861) is 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is CN(Cc1ccccc1)c1cc(F)cc2c(O)c(C(=O)Nc3ccc(C#N)cc3)c(=O)[nH]c12.
What is the InChIKey of 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CQYXDBXNBMEORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c1-30(14-16-5-3-2-4-6-16)20-12-17(26)11-19-22(20)29-25(33)21(23(19)31)24(32)28-18-9-7-15(13-27)8-10-18/h2-12H,14H2,1H3,(H,28,32)(H2,29,31,33).
What are the key properties of 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[benzyl(methyl)amino]-N-(4-cyanophenyl)-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142435861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).