3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C29H29Cl2N3O2 — CID 18407037

IUPAC3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C29H29Cl2N3O2/c1-32-25-13-11-22(31)19-24(25)23(29(32)20-7-9-21(30)10-8-20)12-14-28(35)34-17-15-33(16-18-34)26-5-3-4-6-27(26)36-2/h3-11,13,19H,12,14-18H2,1-2H3
InChIKeySOAJINBUWMBFRL-UHFFFAOYSA-N
MW522.48 g/mol
LogP6.44
Rot. Bonds6

About 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 18407037) has the molecular formula C29H29Cl2N3O2 and a molecular weight of 522.48 g/mol. Its IUPAC name is 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID18407037
Molecular FormulaC29H29Cl2N3O2
Molecular Weight522.48 g/mol
Exact Mass521.16
IUPAC Name3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C29H29Cl2N3O2/c1-32-25-13-11-22(31)19-24(25)23(29(32)20-7-9-21(30)10-8-20)12-14-28(35)34-17-15-33(16-18-34)26-5-3-4-6-27(26)36-2/h3-11,13,19H,12,14-18H2,1-2H3
InChIKeySOAJINBUWMBFRL-UHFFFAOYSA-N
XLogP6.44
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.48
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-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

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 18407037) is 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is SOAJINBUWMBFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2N3O2/c1-32-25-13-11-22(31)19-24(25)23(29(32)20-7-9-21(30)10-8-20)12-14-28(35)34-17-15-33(16-18-34)26-5-3-4-6-27(26)36-2/h3-11,13,19H,12,14-18H2,1-2H3.
What are the key properties of 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 522.48 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 18407037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).