2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C21H17N5O — CID 109314065

IUPAC2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C21H17N5O/c1-14-7-9-16(10-8-14)24-21-23-13-11-18(26-21)20(27)25-17-6-2-4-15-5-3-12-22-19(15)17/h2-13H,1H3,(H,25,27)(H,23,24,26)
InChIKeyZHVDHPUCKVTNMB-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109314065) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109314065
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C21H17N5O/c1-14-7-9-16(10-8-14)24-21-23-13-11-18(26-21)20(27)25-17-6-2-4-15-5-3-12-22-19(15)17/h2-13H,1H3,(H,25,27)(H,23,24,26)
InChIKeyZHVDHPUCKVTNMB-UHFFFAOYSA-N
XLogP4.33
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315229
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109338079
N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109311825
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315471

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109314065) is 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is ZHVDHPUCKVTNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-14-7-9-16(10-8-14)24-21-23-13-11-18(26-21)20(27)25-17-6-2-4-15-5-3-12-22-19(15)17/h2-13H,1H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109314065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).