6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide

C22H19N5O — CID 109347369

IUPAC6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)13-24-20-12-19(25-14-26-20)22(28)27-18-6-2-4-17-5-3-11-23-21(17)18/h2-12,14H,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyNWDFHLCXQQBDPG-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.20
Rot. Bonds5

About 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide

6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109347369) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109347369
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)13-24-20-12-19(25-14-26-20)22(28)27-18-6-2-4-17-5-3-11-23-21(17)18/h2-12,14H,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyNWDFHLCXQQBDPG-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

6-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109349300
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264
6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109351074
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347317
6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109344830
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109119872

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109347369) is 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1ccc(CNc2cc(C(=O)Nc3cccc4cccnc34)ncn2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is NWDFHLCXQQBDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)13-24-20-12-19(25-14-26-20)22(28)27-18-6-2-4-17-5-3-11-23-21(17)18/h2-12,14H,13H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-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 6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109347369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).