methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate

C23H16N2O4 — CID 102592965

IUPACmethyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate
SMILESCOC(=O)c1ccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4C23)cc1
InChIInChI=1S/C23H16N2O4/c1-29-23(28)14-10-12-15(13-11-14)24-20-16-6-2-3-7-17(16)21(26)25(20)19-9-5-4-8-18(19)22(24)27/h2-13,20H,1H3
InChIKeyHFGAWPQHBRUNTG-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.79
Rot. Bonds2

About methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate

methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate (PubChem CID 102592965) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate
PubChem CID102592965
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Namemethyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate
SMILESCOC(=O)c1ccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4C23)cc1
InChIInChI=1S/C23H16N2O4/c1-29-23(28)14-10-12-15(13-11-14)24-20-16-6-2-3-7-17(16)21(26)25(20)19-9-5-4-8-18(19)22(24)27/h2-13,20H,1H3
InChIKeyHFGAWPQHBRUNTG-UHFFFAOYSA-N
XLogP3.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate with MolForge

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Related Compounds

(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 40715931
methyl 4-[(2R)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]benzoate
CID 126174117
6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 3812393
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 7353211
2-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]acetic acid
CID 99963175
6-(4-bromophenyl)-9,10-dimethoxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 57383941
2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 42937122
methyl 4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoate
CID 1278506
3-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]propanoic acid
CID 42507417
methyl 4-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 994206
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide
CID 91636724

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate?
The IUPAC name of methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate (CID 102592965) is methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate.
What is the SMILES notation for methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate?
The canonical SMILES for methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate is COC(=O)c1ccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4C23)cc1.
What is the InChIKey of methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate?
The InChIKey is HFGAWPQHBRUNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c1-29-23(28)14-10-12-15(13-11-14)24-20-16-6-2-3-7-17(16)21(26)25(20)19-9-5-4-8-18(19)22(24)27/h2-13,20H,1H3.
What are the key properties of methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate?
methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate has a molecular weight of 384.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate is sourced from PubChem (CID 102592965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).