N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

C21H16ClN5O — CID 109269168

IUPACN-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3cccc4cccnc34)nc2)cc1Cl
InChIInChI=1S/C21H16ClN5O/c1-13-7-8-16(10-17(13)22)26-20(28)15-11-24-21(25-12-15)27-18-6-2-4-14-5-3-9-23-19(14)18/h2-12H,1H3,(H,26,28)(H,24,25,27)
InChIKeyURFAQKWWTQTQIM-UHFFFAOYSA-N
MW389.85 g/mol
LogP4.98
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (PubChem CID 109269168) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
PubChem CID109269168
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3cccc4cccnc34)nc2)cc1Cl
InChIInChI=1S/C21H16ClN5O/c1-13-7-8-16(10-17(13)22)26-20(28)15-11-24-21(25-12-15)27-18-6-2-4-14-5-3-9-23-19(14)18/h2-12H,1H3,(H,26,28)(H,24,25,27)
InChIKeyURFAQKWWTQTQIM-UHFFFAOYSA-N
XLogP4.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-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

N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109177701
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109270508
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109128991
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109293181
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109267991
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (CID 109269168) is N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3cccc4cccnc34)nc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The InChIKey is URFAQKWWTQTQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c1-13-7-8-16(10-17(13)22)26-20(28)15-11-24-21(25-12-15)27-18-6-2-4-14-5-3-9-23-19(14)18/h2-12H,1H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide has a molecular weight of 389.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).