2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C9H12N2O — CID 135431271

IUPAC2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C9H12N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H2,1H3,(H,10,11,12)
InChIKeyPOZNQGBUFZFKPQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.96
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135431271) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135431271
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C9H12N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H2,1H3,(H,10,11,12)
InChIKeyPOZNQGBUFZFKPQ-UHFFFAOYSA-N
XLogP0.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135431271) is 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is Cc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is POZNQGBUFZFKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H2,1H3,(H,10,11,12).
What are the key properties of 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135431271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).