9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

C23H18N2O4 — CID 659111

IUPAC9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCOc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3)C21
InChIInChI=1S/C23H18N2O4/c1-28-18-13-12-16-19(20(18)29-2)23(27)25-17-11-7-6-10-15(17)22(26)24(21(16)25)14-8-4-3-5-9-14/h3-13,21H,1-2H3
InChIKeyLJZQPEUGCZRGBA-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.02
Rot. Bonds3

About 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 659111) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID659111
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCOc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3)C21
InChIInChI=1S/C23H18N2O4/c1-28-18-13-12-16-19(20(18)29-2)23(27)25-17-11-7-6-10-15(17)22(26)24(21(16)25)14-8-4-3-5-9-14/h3-13,21H,1-2H3
InChIKeyLJZQPEUGCZRGBA-UHFFFAOYSA-N
XLogP4.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione with MolForge

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

Launch Full Analysis

Related Compounds

(R)-2-(3,4-dimethoxybenzyl)-4-(4-(1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
CID 23627612
6,7-dimethoxy-2-(4-methylphenyl)-3H-isoindol-1-one
CID 759234
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
6-(4-Fluorophenyl)-9,10-dimethoxy-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 659352
6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione
CID 10456471
6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1-methyl-1H-quinazoline-2,4-dione
CID 10606670
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione
CID 10763038
7,8-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione
CID 10789770
7-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione
CID 10812130
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301
N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
CID 681912
6,7-Dimethoxy-2-(4-methoxyphenyl)isoindolin-1-one
CID 767108

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 659111) is 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3)C21.
What is the InChIKey of 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is LJZQPEUGCZRGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-18-13-12-16-19(20(18)29-2)23(27)25-17-11-7-6-10-15(17)22(26)24(21(16)25)14-8-4-3-5-9-14/h3-13,21H,1-2H3.
What are the key properties of 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 386.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-6-phenyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 659111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).