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

C23H25ClN2 — CID 70484417

IUPAC7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
SMILESClc1ccc(CCCCC2CC(c3ccccc3)=CCN2)c2cc[nH]c12
InChIInChI=1S/C23H25ClN2/c24-22-11-10-18(21-13-15-26-23(21)22)8-4-5-9-20-16-19(12-14-25-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,15,20,25-26H,4-5,8-9,14,16H2
InChIKeyHQGLMAVHYOBDOD-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.98
Rot. Bonds6

About 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole

7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole (PubChem CID 70484417) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole.

Molecular Properties

Compound Name7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
PubChem CID70484417
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
SMILESClc1ccc(CCCCC2CC(c3ccccc3)=CCN2)c2cc[nH]c12
InChIInChI=1S/C23H25ClN2/c24-22-11-10-18(21-13-15-26-23(21)22)8-4-5-9-20-16-19(12-14-25-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,15,20,25-26H,4-5,8-9,14,16H2
InChIKeyHQGLMAVHYOBDOD-UHFFFAOYSA-N
XLogP5.98
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.98
H-Bond Donors ≤ 52
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 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole?
The IUPAC name of 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole (CID 70484417) is 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole.
What is the SMILES notation for 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole?
The canonical SMILES for 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole is Clc1ccc(CCCCC2CC(c3ccccc3)=CCN2)c2cc[nH]c12.
What is the InChIKey of 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole?
The InChIKey is HQGLMAVHYOBDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2/c24-22-11-10-18(21-13-15-26-23(21)22)8-4-5-9-20-16-19(12-14-25-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,15,20,25-26H,4-5,8-9,14,16H2.
What are the key properties of 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole?
7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole has a molecular weight of 364.92 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole is sourced from PubChem (CID 70484417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).