2-(methylaminomethyl)-3H-quinazolin-4-one

C10H11N3O — CID 135427619

IUPAC2-(methylaminomethyl)-3H-quinazolin-4-one
SMILESCNCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H11N3O/c1-11-6-9-12-8-5-3-2-4-7(8)10(14)13-9/h2-5,11H,6H2,1H3,(H,12,13,14)
InChIKeyDMJLEOHAYHKRRH-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.64
Rot. Bonds2

About 2-(methylaminomethyl)-3H-quinazolin-4-one

2-(methylaminomethyl)-3H-quinazolin-4-one (PubChem CID 135427619) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(methylaminomethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(methylaminomethyl)-3H-quinazolin-4-one
PubChem CID135427619
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(methylaminomethyl)-3H-quinazolin-4-one
SMILESCNCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H11N3O/c1-11-6-9-12-8-5-3-2-4-7(8)10(14)13-9/h2-5,11H,6H2,1H3,(H,12,13,14)
InChIKeyDMJLEOHAYHKRRH-UHFFFAOYSA-N
XLogP0.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(methylaminomethyl)-3H-quinazolin-4-one (CID 135427619) is 2-(methylaminomethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(methylaminomethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(methylaminomethyl)-3H-quinazolin-4-one is CNCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(methylaminomethyl)-3H-quinazolin-4-one?
The InChIKey is DMJLEOHAYHKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-11-6-9-12-8-5-3-2-4-7(8)10(14)13-9/h2-5,11H,6H2,1H3,(H,12,13,14).
What are the key properties of 2-(methylaminomethyl)-3H-quinazolin-4-one?
2-(methylaminomethyl)-3H-quinazolin-4-one has a molecular weight of 189.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135427619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).