8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one

C24H26N2O2 — CID 118710503

IUPAC8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one
SMILESO=c1c2cc(OCCCC3CCCCC3)ccc2nc2n1Cc1ccccc1-2
InChIInChI=1S/C24H26N2O2/c27-24-21-15-19(28-14-6-9-17-7-2-1-3-8-17)12-13-22(21)25-23-20-11-5-4-10-18(20)16-26(23)24/h4-5,10-13,15,17H,1-3,6-9,14,16H2
InChIKeyWMSDYGBKZPKXPM-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.16
Rot. Bonds5

About 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one

8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one (PubChem CID 118710503) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one.

Molecular Properties

Compound Name8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one
PubChem CID118710503
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one
SMILESO=c1c2cc(OCCCC3CCCCC3)ccc2nc2n1Cc1ccccc1-2
InChIInChI=1S/C24H26N2O2/c27-24-21-15-19(28-14-6-9-17-7-2-1-3-8-17)12-13-22(21)25-23-20-11-5-4-10-18(20)16-26(23)24/h4-5,10-13,15,17H,1-3,6-9,14,16H2
InChIKeyWMSDYGBKZPKXPM-UHFFFAOYSA-N
XLogP5.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-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-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one?
The IUPAC name of 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one (CID 118710503) is 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one.
What is the SMILES notation for 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one?
The canonical SMILES for 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one is O=c1c2cc(OCCCC3CCCCC3)ccc2nc2n1Cc1ccccc1-2.
What is the InChIKey of 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one?
The InChIKey is WMSDYGBKZPKXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-24-21-15-19(28-14-6-9-17-7-2-1-3-8-17)12-13-22(21)25-23-20-11-5-4-10-18(20)16-26(23)24/h4-5,10-13,15,17H,1-3,6-9,14,16H2.
What are the key properties of 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one?
8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one has a molecular weight of 374.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclohexylpropoxy)-12H-isoindolo[1,2-b]quinazolin-10-one is sourced from PubChem (CID 118710503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).