1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione

C23H22N2O5 — CID 73212454

IUPAC1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(/C=C/C(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C23H22N2O5/c1-29-18-6-2-17(3-7-18)15-25-20-8-4-16(14-19(20)22(27)23(25)28)5-9-21(26)24-10-12-30-13-11-24/h2-9,14H,10-13,15H2,1H3/b9-5+
InChIKeyIUPOITUDXVXMSU-WEVVVXLNSA-N
MW406.44 g/mol
LogP2.30
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione

1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione (PubChem CID 73212454) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione
PubChem CID73212454
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(/C=C/C(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C23H22N2O5/c1-29-18-6-2-17(3-7-18)15-25-20-8-4-16(14-19(20)22(27)23(25)28)5-9-21(26)24-10-12-30-13-11-24/h2-9,14H,10-13,15H2,1H3/b9-5+
InChIKeyIUPOITUDXVXMSU-WEVVVXLNSA-N
XLogP2.30
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione with MolForge

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Related Compounds

1-(4-Ethoxybenzoyl)indoline
CID 669395
4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270
5-Methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
CID 2141772
1-[3-(2-Methoxyphenoxy)propyl]-7-methylindole-2,3-dione
CID 2141776
5-Methyl-1-[2-(4-methylphenoxy)ethyl]indole-2,3-dione
CID 2145489
7-Methyl-1-(2-phenoxyethyl)indole-2,3-dione
CID 2145491
7-Methyl-1-(2-(p-tolyloxy)ethyl)indoline-2,3-dione
CID 2145492
5-Methyl-1-(3-(m-tolyloxy)propyl)indoline-2,3-dione
CID 3157305
5-Methyl-1-(3-phenoxypropyl)benzo[d]azolidine-2,3-dione
CID 3157307
1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methyl-1H-indole-2,3-dione
CID 17582328
1-(4-Isopropoxybenzyl)-5-methyl-1h-indole-2,3-dione
CID 2200105
2-[(4-methoxybenzoyl)amino]-N-[2-(4-morpholinyl)ethyl]benzamide
CID 1316451

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione (CID 73212454) is 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione is COc1ccc(CN2C(=O)C(=O)c3cc(/C=C/C(=O)N4CCOCC4)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione?
The InChIKey is IUPOITUDXVXMSU-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-29-18-6-2-17(3-7-18)15-25-20-8-4-16(14-19(20)22(27)23(25)28)5-9-21(26)24-10-12-30-13-11-24/h2-9,14H,10-13,15H2,1H3/b9-5+.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione?
1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione has a molecular weight of 406.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]indole-2,3-dione is sourced from PubChem (CID 73212454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).