2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide

C22H19N5O — CID 109256323

IUPAC2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)12-24-22-25-13-18(14-26-22)21(28)27-19-6-2-4-17-5-3-11-23-20(17)19/h2-11,13-14H,12H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyJYSSQWLJMXHXMY-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.20
Rot. Bonds5

About 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide

2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide (PubChem CID 109256323) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
PubChem CID109256323
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)12-24-22-25-13-18(14-26-22)21(28)27-19-6-2-4-17-5-3-11-23-20(17)19/h2-11,13-14H,12H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyJYSSQWLJMXHXMY-UHFFFAOYSA-N
XLogP4.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109347369
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157913
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
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
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257733

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide (CID 109256323) is 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide is Cc1ccc(CNc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide?
The InChIKey is JYSSQWLJMXHXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)12-24-22-25-13-18(14-26-22)21(28)27-19-6-2-4-17-5-3-11-23-20(17)19/h2-11,13-14H,12H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide?
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109256323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).