3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol

C22H25ClN2O3 — CID 57164142

IUPAC3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol
SMILESCOc1ccc2[nH]c(C)c(CCONC=CCO)c2c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O3/c1-15-18(10-13-28-24-11-3-12-26)22-19(14-16-4-6-17(23)7-5-16)21(27-2)9-8-20(22)25-15/h3-9,11,24-26H,10,12-14H2,1-2H3
InChIKeyYPEYCUZZHNDLGD-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.30
Rot. Bonds9

About 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol

3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol (PubChem CID 57164142) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol
PubChem CID57164142
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol
SMILESCOc1ccc2[nH]c(C)c(CCONC=CCO)c2c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O3/c1-15-18(10-13-28-24-11-3-12-26)22-19(14-16-4-6-17(23)7-5-16)21(27-2)9-8-20(22)25-15/h3-9,11,24-26H,10,12-14H2,1-2H3
InChIKeyYPEYCUZZHNDLGD-UHFFFAOYSA-N
XLogP4.30
TPSA66.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol 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

4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole
CID 57111657
2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine
CID 82393219
(4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol
CID 70164757
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727
[2-(2-nitrooxyethylamino)-2-oxoethyl] 2-[4-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
CID 69149695
2-[5-methoxy-2-methyl-4-(2,4,6-trichlorobenzoyl)-1H-indol-3-yl]acetic acid
CID 19919980
methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate
CID 46216285
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136779002
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol?
The IUPAC name of 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol (CID 57164142) is 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol.
What is the SMILES notation for 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol?
The canonical SMILES for 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol is COc1ccc2[nH]c(C)c(CCONC=CCO)c2c1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol?
The InChIKey is YPEYCUZZHNDLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15-18(10-13-28-24-11-3-12-26)22-19(14-16-4-6-17(23)7-5-16)21(27-2)9-8-20(22)25-15/h3-9,11,24-26H,10,12-14H2,1-2H3.
What are the key properties of 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol?
3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol has a molecular weight of 400.91 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol is sourced from PubChem (CID 57164142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).