2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide

C28H36N8O — CID 164767296

IUPAC2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide
SMILESCCc1ncc(CN(C)C(=O)c2nc(-c3ccc(NCCN(C)C)nc3C)nc3ccc(C)cc23)n1C
InChIInChI=1S/C28H36N8O/c1-8-25-30-16-20(36(25)7)17-35(6)28(37)26-22-15-18(2)9-11-23(22)32-27(33-26)21-10-12-24(31-19(21)3)29-13-14-34(4)5/h9-12,15-16H,8,13-14,17H2,1-7H3,(H,29,31)
InChIKeyHALYYAAXGGMKGO-UHFFFAOYSA-N
MW500.65 g/mol
LogP3.85
Rot. Bonds9

About 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide

2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide (PubChem CID 164767296) has the molecular formula C28H36N8O and a molecular weight of 500.65 g/mol. Its IUPAC name is 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide
PubChem CID164767296
Molecular FormulaC28H36N8O
Molecular Weight500.65 g/mol
Exact Mass500.30
IUPAC Name2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide
SMILESCCc1ncc(CN(C)C(=O)c2nc(-c3ccc(NCCN(C)C)nc3C)nc3ccc(C)cc23)n1C
InChIInChI=1S/C28H36N8O/c1-8-25-30-16-20(36(25)7)17-35(6)28(37)26-22-15-18(2)9-11-23(22)32-27(33-26)21-10-12-24(31-19(21)3)29-13-14-34(4)5/h9-12,15-16H,8,13-14,17H2,1-7H3,(H,29,31)
InChIKeyHALYYAAXGGMKGO-UHFFFAOYSA-N
XLogP3.85
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-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-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-2-[3-hydroxy-5-[2-(methylamino)ethylamino]phenyl]-N-methylquinazoline-4-carboxamide
CID 167060347
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide
CID 164767370
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-2-[6-fluoro-5-[2-(methylamino)ethylamino]-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide
CID 164767239
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide
CID 167060298
2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide
CID 167060153
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[5-(hydroxymethyl)-2-methylphenyl]-N-methylquinazoline-4-carboxamide
CID 167060184
2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide
CID 164766934
N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 126476329
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide
CID 165041803
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide
CID 164767059
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[3-methyl-5-[2-(methylamino)ethylamino]phenyl]quinazoline-4-carboxamide
CID 164767331
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide?
The IUPAC name of 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide (CID 164767296) is 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide.
What is the SMILES notation for 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide?
The canonical SMILES for 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide is CCc1ncc(CN(C)C(=O)c2nc(-c3ccc(NCCN(C)C)nc3C)nc3ccc(C)cc23)n1C.
What is the InChIKey of 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide?
The InChIKey is HALYYAAXGGMKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O/c1-8-25-30-16-20(36(25)7)17-35(6)28(37)26-22-15-18(2)9-11-23(22)32-27(33-26)21-10-12-24(31-19(21)3)29-13-14-34(4)5/h9-12,15-16H,8,13-14,17H2,1-7H3,(H,29,31).
What are the key properties of 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide?
2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide has a molecular weight of 500.65 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide is sourced from PubChem (CID 164767296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).