(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

C22H16N2O3 — CID 40715931

IUPAC(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCOc1ccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1
InChIInChI=1S/C22H16N2O3/c1-27-15-12-10-14(11-13-15)23-20-16-6-2-3-7-17(16)21(25)24(20)19-9-5-4-8-18(19)22(23)26/h2-13,20H,1H3/t20-/m0/s1
InChIKeyJFDQXXNLGLRINN-FQEVSTJZSA-N
MW356.38 g/mol
LogP4.01
Rot. Bonds2

About (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 40715931) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID40715931
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCOc1ccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1
InChIInChI=1S/C22H16N2O3/c1-27-15-12-10-14(11-13-15)23-20-16-6-2-3-7-17(16)21(25)24(20)19-9-5-4-8-18(19)22(23)26/h2-13,20H,1H3/t20-/m0/s1
InChIKeyJFDQXXNLGLRINN-FQEVSTJZSA-N
XLogP4.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione with MolForge

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Related Compounds

methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate
CID 102592965
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 42937122
2-(3,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 42937123
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 25343997
6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 3812393
2-[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-1-yl]acetonitrile
CID 11231262
4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 12694474
6-(4-bromophenyl)-9,10-dimethoxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 57383941
(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 7353211
2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560901
(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
CID 8003279

Frequently Asked Questions

What is the IUPAC name of (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 40715931) is (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is COc1ccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1.
What is the InChIKey of (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is JFDQXXNLGLRINN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-27-15-12-10-14(11-13-15)23-20-16-6-2-3-7-17(16)21(25)24(20)19-9-5-4-8-18(19)22(23)26/h2-13,20H,1H3/t20-/m0/s1.
What are the key properties of (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 356.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 40715931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).