2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide

C22H19N5O — CID 109266661

IUPAC2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCc1ccc(C)c(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)c1
InChIInChI=1S/C22H19N5O/c1-14-8-9-15(2)19(11-14)27-22-24-12-17(13-25-22)21(28)26-18-7-3-5-16-6-4-10-23-20(16)18/h3-13H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyZSNYWEUGJIHCKO-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.64
Rot. Bonds4

About 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide

2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide (PubChem CID 109266661) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
PubChem CID109266661
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCc1ccc(C)c(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)c1
InChIInChI=1S/C22H19N5O/c1-14-8-9-15(2)19(11-14)27-22-24-12-17(13-25-22)21(28)26-18-7-3-5-16-6-4-10-23-20(16)18/h3-13H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyZSNYWEUGJIHCKO-UHFFFAOYSA-N
XLogP4.64
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109162626
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109267991
2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109266635
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide (CID 109266661) is 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide is Cc1ccc(C)c(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The InChIKey is ZSNYWEUGJIHCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-8-9-15(2)19(11-14)27-22-24-12-17(13-25-22)21(28)26-18-7-3-5-16-6-4-10-23-20(16)18/h3-13H,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109266661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).