2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

C23H25N3O4 — CID 122175007

IUPAC2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C23H25N3O4/c1-28-15-9-10-21(29-2)20(12-15)26-22-13-18(17-7-3-4-8-19(17)25-22)23(27)24-14-16-6-5-11-30-16/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyNJLOARJUOPPTIL-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.90
Rot. Bonds7

About 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 122175007) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID122175007
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C23H25N3O4/c1-28-15-9-10-21(29-2)20(12-15)26-22-13-18(17-7-3-4-8-19(17)25-22)23(27)24-14-16-6-5-11-30-16/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyNJLOARJUOPPTIL-UHFFFAOYSA-N
XLogP3.90
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)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-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 5074065
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365939
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813901
2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171568

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (CID 122175007) is 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is COc1ccc(OC)c(Nc2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is NJLOARJUOPPTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-15-9-10-21(29-2)20(12-15)26-22-13-18(17-7-3-4-8-19(17)25-22)23(27)24-14-16-6-5-11-30-16/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 122175007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).