1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one

C17H13ClN2O — CID 156767256

IUPAC1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
SMILESCc1cccc2c(=O)n3c(nc12)-c1c(Cl)cccc1CC3
InChIInChI=1S/C17H13ClN2O/c1-10-4-2-6-12-15(10)19-16-14-11(5-3-7-13(14)18)8-9-20(16)17(12)21/h2-7H,8-9H2,1H3
InChIKeyOCNBOCQYHUQXPA-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.58
Rot. Bonds

About 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one

1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one (PubChem CID 156767256) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one.

Molecular Properties

Compound Name1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
PubChem CID156767256
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
SMILESCc1cccc2c(=O)n3c(nc12)-c1c(Cl)cccc1CC3
InChIInChI=1S/C17H13ClN2O/c1-10-4-2-6-12-15(10)19-16-14-11(5-3-7-13(14)18)8-9-20(16)17(12)21/h2-7H,8-9H2,1H3
InChIKeyOCNBOCQYHUQXPA-UHFFFAOYSA-N
XLogP3.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-12-methyl-5,6-dihydroisoquinolino[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 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one?
The IUPAC name of 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one (CID 156767256) is 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one.
What is the SMILES notation for 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one?
The canonical SMILES for 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one is Cc1cccc2c(=O)n3c(nc12)-c1c(Cl)cccc1CC3.
What is the InChIKey of 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one?
The InChIKey is OCNBOCQYHUQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-10-4-2-6-12-15(10)19-16-14-11(5-3-7-13(14)18)8-9-20(16)17(12)21/h2-7H,8-9H2,1H3.
What are the key properties of 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one?
1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one has a molecular weight of 296.76 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one is sourced from PubChem (CID 156767256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).