6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide

C24H22N4O2 — CID 109164287

IUPAC6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C24H22N4O2/c1-16(2)30-20-11-9-19(10-12-20)27-22-13-8-18(15-26-22)24(29)28-21-7-3-5-17-6-4-14-25-23(17)21/h3-16H,1-2H3,(H,26,27)(H,28,29)
InChIKeyWJLXMPRXSNMGDC-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.41
Rot. Bonds6

About 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide

6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109164287) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109164287
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C24H22N4O2/c1-16(2)30-20-11-9-19(10-12-20)27-22-13-8-18(15-26-22)24(29)28-21-7-3-5-17-6-4-14-25-23(17)21/h3-16H,1-2H3,(H,26,27)(H,28,29)
InChIKeyWJLXMPRXSNMGDC-UHFFFAOYSA-N
XLogP5.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-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

Related Compounds

6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
2-(4-methoxyanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109178089
6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164307
4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905205
2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109267991
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
CID 113021752
6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164851
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109162626
6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 62241267
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931098

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109164287) is 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide is CC(C)Oc1ccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)cn2)cc1.
What is the InChIKey of 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is WJLXMPRXSNMGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16(2)30-20-11-9-19(10-12-20)27-22-13-8-18(15-26-22)24(29)28-21-7-3-5-17-6-4-14-25-23(17)21/h3-16H,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109164287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).