3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole

C23H25ClN2 — CID 10386308

IUPAC3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
SMILESClc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H25ClN2/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23/h1-2,6-12,17,25H,3-5,13-16H2
InChIKeyVDPNPEDMQPLESI-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.93
Rot. Bonds6

About 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole

3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole (PubChem CID 10386308) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
PubChem CID10386308
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
SMILESClc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H25ClN2/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23/h1-2,6-12,17,25H,3-5,13-16H2
InChIKeyVDPNPEDMQPLESI-UHFFFAOYSA-N
XLogP5.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole 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-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole (CID 10386308) is 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole is Clc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The InChIKey is VDPNPEDMQPLESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23/h1-2,6-12,17,25H,3-5,13-16H2.
What are the key properties of 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole has a molecular weight of 364.92 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 10386308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).