2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione

C34H36N4O6 — CID 177159086

IUPAC2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione
SMILESCOc1ccc(CCn2c(CCN3C(=O)c4cccc(CCN5CCOCC5)c4C3=O)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C34H36N4O6/c1-42-28-11-10-23(22-29(28)43-2)12-16-37-30(35-27-9-4-3-7-25(27)32(37)39)14-17-38-33(40)26-8-5-6-24(31(26)34(38)41)13-15-36-18-20-44-21-19-36/h3-11,22H,12-21H2,1-2H3
InChIKeyAREDHCMYQAKOKV-UHFFFAOYSA-N
MW596.68 g/mol
LogP3.37
Rot. Bonds11

About 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione

2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione (PubChem CID 177159086) has the molecular formula C34H36N4O6 and a molecular weight of 596.68 g/mol. Its IUPAC name is 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione
PubChem CID177159086
Molecular FormulaC34H36N4O6
Molecular Weight596.68 g/mol
Exact Mass596.26
IUPAC Name2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione
SMILESCOc1ccc(CCn2c(CCN3C(=O)c4cccc(CCN5CCOCC5)c4C3=O)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C34H36N4O6/c1-42-28-11-10-23(22-29(28)43-2)12-16-37-30(35-27-9-4-3-7-25(27)32(37)39)14-17-38-33(40)26-8-5-6-24(31(26)34(38)41)13-15-36-18-20-44-21-19-36/h3-11,22H,12-21H2,1-2H3
InChIKeyAREDHCMYQAKOKV-UHFFFAOYSA-N
XLogP3.37
TPSA103.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.68
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-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

2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione
CID 177159194
4-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-oxoquinazolin-6-yl]ethyl]-2-[2-[4-oxo-3-(2-pyrazol-1-ylethyl)quinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177159063
2-[2-[6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177158980
2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 4885742
2-[3-[3-[2-(3,4-diethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione;hydrochloride
CID 163328708
2-[2-[4-oxo-3-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]quinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177159055
2-[2-[7-(4-acetylpiperazin-1-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4H-isoquinoline-1,3-dione
CID 177158470
2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177158994
2-benzylsulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one
CID 41078081
2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-[5-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-6-methyl-8-nitroso-4-oxoquinazolin-3-yl]ethyl]-2-methoxyphenoxy]ethyl]-8-methyl-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177159114
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
2-[2-[5-[2,3-dimethoxy-5-[2-[7-[(2S,6R)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]phenyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(1,4-oxazepan-4-yl)quinazolin-4-one
CID 177158739

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione (CID 177159086) is 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione is COc1ccc(CCn2c(CCN3C(=O)c4cccc(CCN5CCOCC5)c4C3=O)nc3ccccc3c2=O)cc1OC.
What is the InChIKey of 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The InChIKey is AREDHCMYQAKOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O6/c1-42-28-11-10-23(22-29(28)43-2)12-16-37-30(35-27-9-4-3-7-25(27)32(37)39)14-17-38-33(40)26-8-5-6-24(31(26)34(38)41)13-15-36-18-20-44-21-19-36/h3-11,22H,12-21H2,1-2H3.
What are the key properties of 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione has a molecular weight of 596.68 g/mol, XLogP of 3.37, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 177159086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).