1,3,5-trimethyl-4H-quinazolin-2-one

C11H14N2O — CID 89335300

IUPAC1,3,5-trimethyl-4H-quinazolin-2-one
SMILESCc1cccc2c1CN(C)C(=O)N2C
InChIInChI=1S/C11H14N2O/c1-8-5-4-6-10-9(8)7-12(2)11(14)13(10)3/h4-6H,7H2,1-3H3
InChIKeyZZHUTMIPZCAKNK-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.00
Rot. Bonds

About 1,3,5-trimethyl-4H-quinazolin-2-one

1,3,5-trimethyl-4H-quinazolin-2-one (PubChem CID 89335300) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,3,5-trimethyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1,3,5-trimethyl-4H-quinazolin-2-one
PubChem CID89335300
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,3,5-trimethyl-4H-quinazolin-2-one
SMILESCc1cccc2c1CN(C)C(=O)N2C
InChIInChI=1S/C11H14N2O/c1-8-5-4-6-10-9(8)7-12(2)11(14)13(10)3/h4-6H,7H2,1-3H3
InChIKeyZZHUTMIPZCAKNK-UHFFFAOYSA-N
XLogP2.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4H-quinazolin-2-one?
The IUPAC name of 1,3,5-trimethyl-4H-quinazolin-2-one (CID 89335300) is 1,3,5-trimethyl-4H-quinazolin-2-one.
What is the SMILES notation for 1,3,5-trimethyl-4H-quinazolin-2-one?
The canonical SMILES for 1,3,5-trimethyl-4H-quinazolin-2-one is Cc1cccc2c1CN(C)C(=O)N2C.
What is the InChIKey of 1,3,5-trimethyl-4H-quinazolin-2-one?
The InChIKey is ZZHUTMIPZCAKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-5-4-6-10-9(8)7-12(2)11(14)13(10)3/h4-6H,7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-4H-quinazolin-2-one?
1,3,5-trimethyl-4H-quinazolin-2-one has a molecular weight of 190.25 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4H-quinazolin-2-one is sourced from PubChem (CID 89335300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).