(E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one

C24H26N2O4 — CID 6224472

IUPAC(E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cn(CN3CCOCC3)c3ccccc23)cc1OC
InChIInChI=1S/C24H26N2O4/c1-28-23-10-8-18(15-24(23)29-2)22(27)9-7-19-16-26(17-25-11-13-30-14-12-25)21-6-4-3-5-20(19)21/h3-10,15-16H,11-14,17H2,1-2H3/b9-7+
InChIKeyRVOCPZKJAPKNGE-VQHVLOKHSA-N
MW406.48 g/mol
LogP3.84
Rot. Bonds7

About (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one

(E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one (PubChem CID 6224472) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one
PubChem CID6224472
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name(E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cn(CN3CCOCC3)c3ccccc23)cc1OC
InChIInChI=1S/C24H26N2O4/c1-28-23-10-8-18(15-24(23)29-2)22(27)9-7-19-16-26(17-25-11-13-30-14-12-25)21-6-4-3-5-20(19)21/h3-10,15-16H,11-14,17H2,1-2H3/b9-7+
InChIKeyRVOCPZKJAPKNGE-VQHVLOKHSA-N
XLogP3.84
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 3666180
(E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one
CID 46262224
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one
CID 4889673
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206
(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
CID 71490478
3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 3383337
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
(Z)-3-[1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 92945486
(E)-1-(3-bromophenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 19550945
(E)-1-(3,4-dimethoxyphenyl)-3-(2-phenylphenyl)prop-2-en-1-one
CID 175745581
3-(2,5-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 2860349
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19566862

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one (CID 6224472) is (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2cn(CN3CCOCC3)c3ccccc23)cc1OC.
What is the InChIKey of (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one?
The InChIKey is RVOCPZKJAPKNGE-VQHVLOKHSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-23-10-8-18(15-24(23)29-2)22(27)9-7-19-16-26(17-25-11-13-30-14-12-25)21-6-4-3-5-20(19)21/h3-10,15-16H,11-14,17H2,1-2H3/b9-7+.
What are the key properties of (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one?
(E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one has a molecular weight of 406.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one is sourced from PubChem (CID 6224472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).