N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide

C25H26N4O3 — CID 167060182

IUPACN-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide
SMILESCCN(Cc1cnn(CC)c1C)C(=O)c1cc(-c2cccc(O)c2)nc2ccc(O)cc12
InChIInChI=1S/C25H26N4O3/c1-4-28(15-18-14-26-29(5-2)16(18)3)25(32)22-13-24(17-7-6-8-19(30)11-17)27-23-10-9-20(31)12-21(22)23/h6-14,30-31H,4-5,15H2,1-3H3
InChIKeyFWDWFXLIOVGBBB-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.50
Rot. Bonds6

About N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide

N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide (PubChem CID 167060182) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide
PubChem CID167060182
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide
SMILESCCN(Cc1cnn(CC)c1C)C(=O)c1cc(-c2cccc(O)c2)nc2ccc(O)cc12
InChIInChI=1S/C25H26N4O3/c1-4-28(15-18-14-26-29(5-2)16(18)3)25(32)22-13-24(17-7-6-8-19(30)11-17)27-23-10-9-20(31)12-21(22)23/h6-14,30-31H,4-5,15H2,1-3H3
InChIKeyFWDWFXLIOVGBBB-UHFFFAOYSA-N
XLogP4.50
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060231
6-hydroxy-2-(3-hydroxyphenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 167060216
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060246
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide
CID 167060128
6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767125
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[5-[2-hydroxy-3-(methylamino)propoxy]-6-methyl-2-pyridinyl]-N-methylquinoline-4-carboxamide
CID 167060178
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide
CID 167060323
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
CID 164766967
2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
CID 17375096
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide
CID 167060468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide (CID 167060182) is N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide is CCN(Cc1cnn(CC)c1C)C(=O)c1cc(-c2cccc(O)c2)nc2ccc(O)cc12.
What is the InChIKey of N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide?
The InChIKey is FWDWFXLIOVGBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-28(15-18-14-26-29(5-2)16(18)3)25(32)22-13-24(17-7-6-8-19(30)11-17)27-23-10-9-20(31)12-21(22)23/h6-14,30-31H,4-5,15H2,1-3H3.
What are the key properties of N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide?
N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 167060182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).