(E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one

C34H39N3O3 — CID 135060524

IUPAC(E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one
SMILESC=C(C)C1CC=C(n2c(/N=C(\CC)N3CCOCC3)c(/C=C/C(=O)c3ccc(OC)cc3)c3ccccc32)CC1
InChIInChI=1S/C34H39N3O3/c1-5-33(36-20-22-40-23-21-36)35-34-30(18-19-32(38)26-12-16-28(39-4)17-13-26)29-8-6-7-9-31(29)37(34)27-14-10-25(11-15-27)24(2)3/h6-9,12-14,16-19,25H,2,5,10-11,15,20-23H2,1,3-4H3/b19-18+,35-33+
InChIKeyCCMQXENNCSMMLA-HGAHKLOASA-N
MW537.70 g/mol
LogP7.54
Rot. Bonds8

About (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one

(E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one (PubChem CID 135060524) has the molecular formula C34H39N3O3 and a molecular weight of 537.70 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one
PubChem CID135060524
Molecular FormulaC34H39N3O3
Molecular Weight537.70 g/mol
Exact Mass537.30
IUPAC Name(E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one
SMILESC=C(C)C1CC=C(n2c(/N=C(\CC)N3CCOCC3)c(/C=C/C(=O)c3ccc(OC)cc3)c3ccccc32)CC1
InChIInChI=1S/C34H39N3O3/c1-5-33(36-20-22-40-23-21-36)35-34-30(18-19-32(38)26-12-16-28(39-4)17-13-26)29-8-6-7-9-31(29)37(34)27-14-10-25(11-15-27)24(2)3/h6-9,12-14,16-19,25H,2,5,10-11,15,20-23H2,1,3-4H3/b19-18+,35-33+
InChIKeyCCMQXENNCSMMLA-HGAHKLOASA-N
XLogP7.54
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one 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

(E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814776
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] cyclopropanecarboxylate
CID 3629356
(E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one
CID 46262224
(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 15169782
(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814820
(E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one
CID 6224472
(E)-1-(4-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
CID 5466905
(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one
CID 155927198
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288584
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one (CID 135060524) is (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one is C=C(C)C1CC=C(n2c(/N=C(\CC)N3CCOCC3)c(/C=C/C(=O)c3ccc(OC)cc3)c3ccccc32)CC1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one?
The InChIKey is CCMQXENNCSMMLA-HGAHKLOASA-N. The full InChI is InChI=1S/C34H39N3O3/c1-5-33(36-20-22-40-23-21-36)35-34-30(18-19-32(38)26-12-16-28(39-4)17-13-26)29-8-6-7-9-31(29)37(34)27-14-10-25(11-15-27)24(2)3/h6-9,12-14,16-19,25H,2,5,10-11,15,20-23H2,1,3-4H3/b19-18+,35-33+.
What are the key properties of (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one?
(E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one has a molecular weight of 537.70 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-3-[2-[(E)-1-morpholin-4-ylpropylideneamino]-1-(4-prop-1-en-2-ylcyclohexen-1-yl)indol-3-yl]prop-2-en-1-one is sourced from PubChem (CID 135060524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).