3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one

C12H16N4O — CID 142210275

IUPAC3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one
SMILESCNCCNc1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C12H16N4O/c1-13-5-6-14-9-3-4-10-11(7-9)15-8-16(2)12(10)17/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyNDEYHDKQXFPAHG-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.56
Rot. Bonds4

About 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one

3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one (PubChem CID 142210275) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one
PubChem CID142210275
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one
SMILESCNCCNc1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C12H16N4O/c1-13-5-6-14-9-3-4-10-11(7-9)15-8-16(2)12(10)17/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyNDEYHDKQXFPAHG-UHFFFAOYSA-N
XLogP0.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(3-methyl-4-oxoquinazolin-7-yl)amino]methylidene]propanedinitrile
CID 167938945
7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264462
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one
CID 131075374
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
6-fluoro-N-(3-methyl-4-oxoquinazolin-7-yl)naphthalene-1-carboxamide
CID 167968893
3-methyl-7-(2-phenylethynyl)quinazolin-4-one
CID 58574174
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
(5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate
CID 155590797
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 77095802
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
CID 115245633
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one (CID 142210275) is 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one is CNCCNc1ccc2c(=O)n(C)cnc2c1.
What is the InChIKey of 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one?
The InChIKey is NDEYHDKQXFPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-5-6-14-9-3-4-10-11(7-9)15-8-16(2)12(10)17/h3-4,7-8,13-14H,5-6H2,1-2H3.
What are the key properties of 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one?
3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one has a molecular weight of 232.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one is sourced from PubChem (CID 142210275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).