2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide

C22H17N5O2 — CID 109270127

IUPAC2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C22H17N5O2/c1-14(28)15-7-9-18(10-8-15)26-22-24-12-17(13-25-22)21(29)27-19-6-2-4-16-5-3-11-23-20(16)19/h2-13H,1H3,(H,27,29)(H,24,25,26)
InChIKeyWATFHGXNEKLOCC-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.22
Rot. Bonds5

About 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide

2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide (PubChem CID 109270127) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
PubChem CID109270127
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C22H17N5O2/c1-14(28)15-7-9-18(10-8-15)26-22-24-12-17(13-25-22)21(29)27-19-6-2-4-16-5-3-11-23-20(16)19/h2-13H,1H3,(H,27,29)(H,24,25,26)
InChIKeyWATFHGXNEKLOCC-UHFFFAOYSA-N
XLogP4.22
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-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-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109267991
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109270508
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide (CID 109270127) is 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide is CC(=O)c1ccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The InChIKey is WATFHGXNEKLOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-14(28)15-7-9-18(10-8-15)26-22-24-12-17(13-25-22)21(29)27-19-6-2-4-16-5-3-11-23-20(16)19/h2-13H,1H3,(H,27,29)(H,24,25,26).
What are the key properties of 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109270127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).