2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride

C10H12ClN3O — CID 75537334

IUPAC2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
SMILESCl.Cn1c(CN)nc2ccccc2c1=O
InChIInChI=1S/C10H11N3O.ClH/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14;/h2-5H,6,11H2,1H3;1H
InChIKeyMPDLVADXTNZYSU-UHFFFAOYSA-N
MW225.68 g/mol
LogP0.81
Rot. Bonds1

About 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride

2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride (PubChem CID 75537334) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
PubChem CID75537334
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
SMILESCl.Cn1c(CN)nc2ccccc2c1=O
InChIInChI=1S/C10H11N3O.ClH/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14;/h2-5H,6,11H2,1H3;1H
InChIKeyMPDLVADXTNZYSU-UHFFFAOYSA-N
XLogP0.81
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride (CID 75537334) is 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride is Cl.Cn1c(CN)nc2ccccc2c1=O.
What is the InChIKey of 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride?
The InChIKey is MPDLVADXTNZYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14;/h2-5H,6,11H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride?
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 75537334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).