5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one

C31H34Cl2N2O5 — CID 10303809

IUPAC5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
SMILESCOc1ccc(CN2C(=O)C(C)(c3cc(COCCN4CCOCC4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C31H34Cl2N2O5/c1-31(25-16-21(4-8-27(25)33)20-40-15-12-34-10-13-39-14-11-34)26-17-23(32)6-9-28(26)35(30(31)36)19-22-5-7-24(37-2)18-29(22)38-3/h4-9,16-18H,10-15,19-20H2,1-3H3
InChIKeyIEGUGOVZQRGHJA-UHFFFAOYSA-N
MW585.53 g/mol
LogP5.71
Rot. Bonds10

About 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one

5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one (PubChem CID 10303809) has the molecular formula C31H34Cl2N2O5 and a molecular weight of 585.53 g/mol. Its IUPAC name is 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
PubChem CID10303809
Molecular FormulaC31H34Cl2N2O5
Molecular Weight585.53 g/mol
Exact Mass584.18
IUPAC Name5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
SMILESCOc1ccc(CN2C(=O)C(C)(c3cc(COCCN4CCOCC4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C31H34Cl2N2O5/c1-31(25-16-21(4-8-27(25)33)20-40-15-12-34-10-13-39-14-11-34)26-17-23(32)6-9-28(26)35(30(31)36)19-22-5-7-24(37-2)18-29(22)38-3/h4-9,16-18H,10-15,19-20H2,1-3H3
InChIKeyIEGUGOVZQRGHJA-UHFFFAOYSA-N
XLogP5.71
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.53
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 10208686
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide
CID 18752941
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 18752949
5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 20610854
1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide
CID 18752943
N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide
CID 10303164
1-[[4-[bis(2-methylpropyl)amino]-2-methoxyphenyl]methyl]-5-chloro-3-(2-chlorophenyl)-3-methylindol-2-one
CID 15521775
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(2-pyridin-2-ylethyl)benzamide;hydrochloride
CID 18752965
4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide
CID 18753022
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide
CID 68820181
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide
CID 11664964
4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide
CID 91108844

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The IUPAC name of 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one (CID 10303809) is 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one.
What is the SMILES notation for 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The canonical SMILES for 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one is COc1ccc(CN2C(=O)C(C)(c3cc(COCCN4CCOCC4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The InChIKey is IEGUGOVZQRGHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2N2O5/c1-31(25-16-21(4-8-27(25)33)20-40-15-12-34-10-13-39-14-11-34)26-17-23(32)6-9-28(26)35(30(31)36)19-22-5-7-24(37-2)18-29(22)38-3/h4-9,16-18H,10-15,19-20H2,1-3H3.
What are the key properties of 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one has a molecular weight of 585.53 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one is sourced from PubChem (CID 10303809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).