(2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone

C25H25N3O2 — CID 170454088

IUPAC(2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone
SMILESO=C(/C=C1\C=CN(CCN2CCOCC2)c2ccccc21)n1ccc2ccccc21
InChIInChI=1S/C25H25N3O2/c29-25(28-12-10-20-5-1-3-7-23(20)28)19-21-9-11-27(24-8-4-2-6-22(21)24)14-13-26-15-17-30-18-16-26/h1-12,19H,13-18H2/b21-19+
InChIKeyZKSHDNLRNRYARH-XUTLUUPISA-N
MW399.49 g/mol
LogP4.03
Rot. Bonds4

About (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone

(2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone (PubChem CID 170454088) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone.

Molecular Properties

Compound Name(2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone
PubChem CID170454088
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone
SMILESO=C(/C=C1\C=CN(CCN2CCOCC2)c2ccccc21)n1ccc2ccccc21
InChIInChI=1S/C25H25N3O2/c29-25(28-12-10-20-5-1-3-7-23(20)28)19-21-9-11-27(24-8-4-2-6-22(21)24)14-13-26-15-17-30-18-16-26/h1-12,19H,13-18H2/b21-19+
InChIKeyZKSHDNLRNRYARH-XUTLUUPISA-N
XLogP4.03
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone
CID 170454105
4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 84557544
bis(tert-butyl indole-1-carboxylate);N,N-dimethylethanamine;4-ethylmorpholine
CID 123845567
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone
CID 118225626
(E)-4-indol-1-yl-4-oxobut-2-enoic acid
CID 1201177
2-fluoren-9-ylidene-N-(2-morpholin-4-ylethyl)acetamide
CID 58938044
naphthalen-1-yl 3-morpholin-4-ylpropanoate
CID 68790783
bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine
CID 157324027
2-indol-1-yl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide
CID 86859991
4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 84553216
(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 14896529
3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
CID 86617457

Frequently Asked Questions

What is the IUPAC name of (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone?
The IUPAC name of (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone (CID 170454088) is (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone.
What is the SMILES notation for (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone?
The canonical SMILES for (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone is O=C(/C=C1\C=CN(CCN2CCOCC2)c2ccccc21)n1ccc2ccccc21.
What is the InChIKey of (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone?
The InChIKey is ZKSHDNLRNRYARH-XUTLUUPISA-N. The full InChI is InChI=1S/C25H25N3O2/c29-25(28-12-10-20-5-1-3-7-23(20)28)19-21-9-11-27(24-8-4-2-6-22(21)24)14-13-26-15-17-30-18-16-26/h1-12,19H,13-18H2/b21-19+.
What are the key properties of (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone?
(2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone has a molecular weight of 399.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-indol-1-yl-2-[1-(2-morpholin-4-ylethyl)quinolin-4-ylidene]ethanone is sourced from PubChem (CID 170454088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).