4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide

C21H15ClN4O — CID 113021752

IUPAC4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc3cccnc23)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN4O/c22-16-8-6-15(7-9-16)21(27)25-17-10-11-19(24-13-17)26-18-5-1-3-14-4-2-12-23-20(14)18/h1-13H,(H,24,26)(H,25,27)
InChIKeyQXQLOXYCTOMXGI-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.28
Rot. Bonds4

About 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide

4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide (PubChem CID 113021752) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
PubChem CID113021752
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc3cccnc23)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN4O/c22-16-8-6-15(7-9-16)21(27)25-17-10-11-19(24-13-17)26-18-5-1-3-14-4-2-12-23-20(14)18/h1-13H,(H,24,26)(H,25,27)
InChIKeyQXQLOXYCTOMXGI-UHFFFAOYSA-N
XLogP5.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide 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

3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide
CID 113036320
4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
CID 113018439
4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
N-[6-(quinolin-8-ylamino)-3-pyridinyl]furan-2-carboxamide
CID 113021727
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
N-[6-(quinolin-8-ylamino)-3-pyridinyl]propanamide
CID 113021717
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
CID 113022233
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide (CID 113021752) is 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2cccc3cccnc23)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide?
The InChIKey is QXQLOXYCTOMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-16-8-6-15(7-9-16)21(27)25-17-10-11-19(24-13-17)26-18-5-1-3-14-4-2-12-23-20(14)18/h1-13H,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide?
4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide has a molecular weight of 374.83 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113021752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).