6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide

C23H18N4O2 — CID 109164464

IUPAC6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)cn2)c1
InChIInChI=1S/C23H18N4O2/c1-15(28)17-6-2-8-19(13-17)26-21-11-10-18(14-25-21)23(29)27-20-9-3-5-16-7-4-12-24-22(16)20/h2-14H,1H3,(H,25,26)(H,27,29)
InChIKeyHHAVHGWDXCLMNL-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.83
Rot. Bonds5

About 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide

6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109164464) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109164464
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)cn2)c1
InChIInChI=1S/C23H18N4O2/c1-15(28)17-6-2-8-19(13-17)26-21-11-10-18(14-25-21)23(29)27-20-9-3-5-16-7-4-12-24-22(16)20/h2-14H,1H3,(H,25,26)(H,27,29)
InChIKeyHHAVHGWDXCLMNL-UHFFFAOYSA-N
XLogP4.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109164458
6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164287
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
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
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
CID 52842232
6-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157732

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109164464) is 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide is CC(=O)c1cccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)cn2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is HHAVHGWDXCLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15(28)17-6-2-8-19(13-17)26-21-11-10-18(14-25-21)23(29)27-20-9-3-5-16-7-4-12-24-22(16)20/h2-14H,1H3,(H,25,26)(H,27,29).
What are the key properties of 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109164464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).