4-methyl-3H-quinazolin-2-one

C9H8N2O — CID 3015712

IUPAC4-methyl-3H-quinazolin-2-one
SMILESCc1[nH]c(=O)nc2ccccc12
InChIInChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)11-9(12)10-6/h2-5H,1H3,(H,10,11,12)
InChIKeyRLLNOZZVLWEBBI-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.23
Rot. Bonds

About 4-methyl-3H-quinazolin-2-one

4-methyl-3H-quinazolin-2-one (PubChem CID 3015712) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-methyl-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-methyl-3H-quinazolin-2-one
PubChem CID3015712
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-methyl-3H-quinazolin-2-one
SMILESCc1[nH]c(=O)nc2ccccc12
InChIInChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)11-9(12)10-6/h2-5H,1H3,(H,10,11,12)
InChIKeyRLLNOZZVLWEBBI-UHFFFAOYSA-N
XLogP1.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-quinazolin-2-one?
The IUPAC name of 4-methyl-3H-quinazolin-2-one (CID 3015712) is 4-methyl-3H-quinazolin-2-one.
What is the SMILES notation for 4-methyl-3H-quinazolin-2-one?
The canonical SMILES for 4-methyl-3H-quinazolin-2-one is Cc1[nH]c(=O)nc2ccccc12.
What is the InChIKey of 4-methyl-3H-quinazolin-2-one?
The InChIKey is RLLNOZZVLWEBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)11-9(12)10-6/h2-5H,1H3,(H,10,11,12).
What are the key properties of 4-methyl-3H-quinazolin-2-one?
4-methyl-3H-quinazolin-2-one has a molecular weight of 160.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-quinazolin-2-one is sourced from PubChem (CID 3015712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).