2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one

C17H17N3O — CID 69101971

IUPAC2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(CN)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C17H17N3O/c1-11-7-8-15(12(2)9-11)20-16(10-18)19-14-6-4-3-5-13(14)17(20)21/h3-9H,10,18H2,1-2H3
InChIKeyHSRZLCQDRXQPLL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds2

About 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one

2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one (PubChem CID 69101971) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
PubChem CID69101971
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(CN)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C17H17N3O/c1-11-7-8-15(12(2)9-11)20-16(10-18)19-14-6-4-3-5-13(14)17(20)21/h3-9H,10,18H2,1-2H3
InChIKeyHSRZLCQDRXQPLL-UHFFFAOYSA-N
XLogP2.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one?
The IUPAC name of 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one (CID 69101971) is 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one is Cc1ccc(-n2c(CN)nc3ccccc3c2=O)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one?
The InChIKey is HSRZLCQDRXQPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-7-8-15(12(2)9-11)20-16(10-18)19-14-6-4-3-5-13(14)17(20)21/h3-9H,10,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one?
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one is sourced from PubChem (CID 69101971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).