9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one

C23H15ClN2O2 — CID 138963257

IUPAC9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one
SMILESCOc1ccc(-c2cc3ccccc3c3nc(=O)c4ccc(Cl)cc4n23)cc1
InChIInChI=1S/C23H15ClN2O2/c1-28-17-9-6-14(7-10-17)20-12-15-4-2-3-5-18(15)22-25-23(27)19-11-8-16(24)13-21(19)26(20)22/h2-13H,1H3
InChIKeyBXQBQOKZROFXNU-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.33
Rot. Bonds2

About 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one

9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one (PubChem CID 138963257) has the molecular formula C23H15ClN2O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one.

Molecular Properties

Compound Name9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one
PubChem CID138963257
Molecular FormulaC23H15ClN2O2
Molecular Weight386.84 g/mol
Exact Mass386.08
IUPAC Name9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one
SMILESCOc1ccc(-c2cc3ccccc3c3nc(=O)c4ccc(Cl)cc4n23)cc1
InChIInChI=1S/C23H15ClN2O2/c1-28-17-9-6-14(7-10-17)20-12-15-4-2-3-5-18(15)22-25-23(27)19-11-8-16(24)13-21(19)26(20)22/h2-13H,1H3
InChIKeyBXQBQOKZROFXNU-UHFFFAOYSA-N
XLogP5.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-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 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one?
The IUPAC name of 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one (CID 138963257) is 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one.
What is the SMILES notation for 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one?
The canonical SMILES for 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one is COc1ccc(-c2cc3ccccc3c3nc(=O)c4ccc(Cl)cc4n23)cc1.
What is the InChIKey of 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one?
The InChIKey is BXQBQOKZROFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2/c1-28-17-9-6-14(7-10-17)20-12-15-4-2-3-5-18(15)22-25-23(27)19-11-8-16(24)13-21(19)26(20)22/h2-13H,1H3.
What are the key properties of 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one?
9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one has a molecular weight of 386.84 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one is sourced from PubChem (CID 138963257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).