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

C24H20N2O5 — CID 3798136

IUPAC9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCOc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)C12
InChIInChI=1S/C24H20N2O5/c1-29-18-11-7-6-10-17(18)26-22-15-12-13-19(30-2)21(31-3)20(15)24(28)25(22)16-9-5-4-8-14(16)23(26)27/h4-13,22H,1-3H3
InChIKeyPXXSZNCMWLRCCG-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.03
Rot. Bonds4

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

9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 3798136) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID3798136
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCOc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)C12
InChIInChI=1S/C24H20N2O5/c1-29-18-11-7-6-10-17(18)26-22-15-12-13-19(30-2)21(31-3)20(15)24(28)25(22)16-9-5-4-8-14(16)23(26)27/h4-13,22H,1-3H3
InChIKeyPXXSZNCMWLRCCG-UHFFFAOYSA-N
XLogP4.03
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenyl)-9,10-dimethoxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 57383941
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetic acid
CID 91636968
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-pyridin-2-ylacetamide
CID 102565073
methyl 2-[[2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetyl]amino]acetate
CID 91637627
2-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 99993655
3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-propan-2-ylpropanamide
CID 91637376
9,10-dimethoxy-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 127252859
2-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-prop-2-enylacetamide
CID 99987284
3-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-benzylpropanamide
CID 99995857
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)acetamide
CID 127253425
(6aS)-9,10-dimethoxy-6-(3-morpholin-4-yl-3-oxopropyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 99994941
2-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-octylacetamide
CID 99992613

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 3798136) is 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is COc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)C12.
What is the InChIKey of 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is PXXSZNCMWLRCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-29-18-11-7-6-10-17(18)26-22-15-12-13-19(30-2)21(31-3)20(15)24(28)25(22)16-9-5-4-8-14(16)23(26)27/h4-13,22H,1-3H3.
What are the key properties of 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 416.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 3798136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).