8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one

C12H13N3O — CID 54613666

IUPAC8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one
SMILESCc1c2c(cn1C)CCc1cnc(=O)[nH]c1-2
InChIInChI=1S/C12H13N3O/c1-7-10-9(6-15(7)2)4-3-8-5-13-12(16)14-11(8)10/h5-6H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyIKFLAWOPZUFNLB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.18
Rot. Bonds

About 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one

8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one (PubChem CID 54613666) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one.

Molecular Properties

Compound Name8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one
PubChem CID54613666
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one
SMILESCc1c2c(cn1C)CCc1cnc(=O)[nH]c1-2
InChIInChI=1S/C12H13N3O/c1-7-10-9(6-15(7)2)4-3-8-5-13-12(16)14-11(8)10/h5-6H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyIKFLAWOPZUFNLB-UHFFFAOYSA-N
XLogP1.18
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one?
The IUPAC name of 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one (CID 54613666) is 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one.
What is the SMILES notation for 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one?
The canonical SMILES for 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one is Cc1c2c(cn1C)CCc1cnc(=O)[nH]c1-2.
What is the InChIKey of 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one?
The InChIKey is IKFLAWOPZUFNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-10-9(6-15(7)2)4-3-8-5-13-12(16)14-11(8)10/h5-6H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one?
8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinazolin-2-one is sourced from PubChem (CID 54613666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).