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

C23H25ClN2 — CID 70483148

IUPAC6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
SMILESClc1cc(CCCCN2CC=C(c3ccccc3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C23H25ClN2/c24-21-16-20(22-9-12-25-23(22)17-21)8-4-5-13-26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-10,12,16-17,25H,4-5,8,11,13-15H2
InChIKeyMQPPMQHGZZOQIG-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.93
Rot. Bonds6

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

6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole (PubChem CID 70483148) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
PubChem CID70483148
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
SMILESClc1cc(CCCCN2CC=C(c3ccccc3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C23H25ClN2/c24-21-16-20(22-9-12-25-23(22)17-21)8-4-5-13-26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-10,12,16-17,25H,4-5,8,11,13-15H2
InChIKeyMQPPMQHGZZOQIG-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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Related Compounds

5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483108
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol
CID 70483927
3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride
CID 10386307
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483326
[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
CID 70364403
2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-phenanthridin-6-one
CID 10150882
6-chloro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
CID 19087747
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-2H-phthalazin-1-one
CID 10237099
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The IUPAC name of 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole (CID 70483148) is 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole.
What is the SMILES notation for 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The canonical SMILES for 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole is Clc1cc(CCCCN2CC=C(c3ccccc3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The InChIKey is MQPPMQHGZZOQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2/c24-21-16-20(22-9-12-25-23(22)17-21)8-4-5-13-26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-10,12,16-17,25H,4-5,8,11,13-15H2.
What are the key properties of 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
6-chloro-4-[4-(4-phenyl-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 6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole is sourced from PubChem (CID 70483148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).