2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one

C20H20N2O3 — CID 765894

IUPAC2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one
SMILESCOc1cc2c(cc1OC)-c1nc3ccccc3c(=O)n1C(C)(C)C2
InChIInChI=1S/C20H20N2O3/c1-20(2)11-12-9-16(24-3)17(25-4)10-14(12)18-21-15-8-6-5-7-13(15)19(23)22(18)20/h5-10H,11H2,1-4H3
InChIKeyANHMBGYPNFTSIP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.37
Rot. Bonds2

About 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one

2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one (PubChem CID 765894) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one.

Molecular Properties

Compound Name2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one
PubChem CID765894
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one
SMILESCOc1cc2c(cc1OC)-c1nc3ccccc3c(=O)n1C(C)(C)C2
InChIInChI=1S/C20H20N2O3/c1-20(2)11-12-9-16(24-3)17(25-4)10-14(12)18-21-15-8-6-5-7-13(15)19(23)22(18)20/h5-10H,11H2,1-4H3
InChIKeyANHMBGYPNFTSIP-UHFFFAOYSA-N
XLogP3.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-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 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one?
The IUPAC name of 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one (CID 765894) is 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one.
What is the SMILES notation for 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one?
The canonical SMILES for 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one is COc1cc2c(cc1OC)-c1nc3ccccc3c(=O)n1C(C)(C)C2.
What is the InChIKey of 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one?
The InChIKey is ANHMBGYPNFTSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2)11-12-9-16(24-3)17(25-4)10-14(12)18-21-15-8-6-5-7-13(15)19(23)22(18)20/h5-10H,11H2,1-4H3.
What are the key properties of 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one?
2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one has a molecular weight of 336.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6,6-dimethyl-5H-isoquinolino[1,2-b]quinazolin-8-one is sourced from PubChem (CID 765894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).