2-(aminomethyl)-3,7-dimethylquinazolin-4-one

C11H13N3O — CID 84777308

IUPAC2-(aminomethyl)-3,7-dimethylquinazolin-4-one
SMILESCc1ccc2c(=O)n(C)c(CN)nc2c1
InChIInChI=1S/C11H13N3O/c1-7-3-4-8-9(5-7)13-10(6-12)14(2)11(8)15/h3-5H,6,12H2,1-2H3
InChIKeyILDJHBBYBBPZJM-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.70
Rot. Bonds1

About 2-(aminomethyl)-3,7-dimethylquinazolin-4-one

2-(aminomethyl)-3,7-dimethylquinazolin-4-one (PubChem CID 84777308) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(aminomethyl)-3,7-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3,7-dimethylquinazolin-4-one
PubChem CID84777308
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(aminomethyl)-3,7-dimethylquinazolin-4-one
SMILESCc1ccc2c(=O)n(C)c(CN)nc2c1
InChIInChI=1S/C11H13N3O/c1-7-3-4-8-9(5-7)13-10(6-12)14(2)11(8)15/h3-5H,6,12H2,1-2H3
InChIKeyILDJHBBYBBPZJM-UHFFFAOYSA-N
XLogP0.70
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
2-acetyl-3,7-dimethylquinazolin-4-one
CID 84784682
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971
3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
7-bromo-2-(2-methoxyethyl)-3-methylquinazolin-4-one
CID 58574265
(2-chloro-7-methylquinolin-4-yl)methanamine
CID 115024953
(2,6-dimethylindazol-3-yl)methanamine
CID 84717621
1,3,8-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 2785860
3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
CID 84622309

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,7-dimethylquinazolin-4-one?
The IUPAC name of 2-(aminomethyl)-3,7-dimethylquinazolin-4-one (CID 84777308) is 2-(aminomethyl)-3,7-dimethylquinazolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3,7-dimethylquinazolin-4-one?
The canonical SMILES for 2-(aminomethyl)-3,7-dimethylquinazolin-4-one is Cc1ccc2c(=O)n(C)c(CN)nc2c1.
What is the InChIKey of 2-(aminomethyl)-3,7-dimethylquinazolin-4-one?
The InChIKey is ILDJHBBYBBPZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-3-4-8-9(5-7)13-10(6-12)14(2)11(8)15/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3,7-dimethylquinazolin-4-one?
2-(aminomethyl)-3,7-dimethylquinazolin-4-one has a molecular weight of 203.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,7-dimethylquinazolin-4-one is sourced from PubChem (CID 84777308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).