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

C23H25ClN2 — CID 10250440

IUPAC3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
SMILESClc1ccccc1C1=CCN(CCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H25ClN2/c24-22-10-3-1-8-20(22)18-12-15-26(16-13-18)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-12,17,25H,5-7,13-16H2
InChIKeyWWMBSJAUCLHJCQ-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.93
Rot. Bonds6

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

3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole (PubChem CID 10250440) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
PubChem CID10250440
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
SMILESClc1ccccc1C1=CCN(CCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H25ClN2/c24-22-10-3-1-8-20(22)18-12-15-26(16-13-18)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-12,17,25H,5-7,13-16H2
InChIKeyWWMBSJAUCLHJCQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole (CID 10250440) is 3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole is Clc1ccccc1C1=CCN(CCCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The InChIKey is WWMBSJAUCLHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2/c24-22-10-3-1-8-20(22)18-12-15-26(16-13-18)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-12,17,25H,5-7,13-16H2.
What are the key properties of 3-[4-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
3-[4-[4-(2-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-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 10250440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).