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

C22H21ClN2 — CID 70484276

IUPAC7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole
SMILESClc1ccc(/C=C/CC2CC(c3ccccc3)=CCN2)c2cc[nH]c12
InChIInChI=1S/C22H21ClN2/c23-21-10-9-17(20-12-14-25-22(20)21)7-4-8-19-15-18(11-13-24-19)16-5-2-1-3-6-16/h1-7,9-12,14,19,24-25H,8,13,15H2/b7-4+
InChIKeyBRTFPNPOFCWSOV-QPJJXVBHSA-N
MW348.88 g/mol
LogP5.67
Rot. Bonds4

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

7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole (PubChem CID 70484276) has the molecular formula C22H21ClN2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole.

Molecular Properties

Compound Name7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole
PubChem CID70484276
Molecular FormulaC22H21ClN2
Molecular Weight348.88 g/mol
Exact Mass348.14
IUPAC Name7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole
SMILESClc1ccc(/C=C/CC2CC(c3ccccc3)=CCN2)c2cc[nH]c12
InChIInChI=1S/C22H21ClN2/c23-21-10-9-17(20-12-14-25-22(20)21)7-4-8-19-15-18(11-13-24-19)16-5-2-1-3-6-16/h1-7,9-12,14,19,24-25H,8,13,15H2/b7-4+
InChIKeyBRTFPNPOFCWSOV-QPJJXVBHSA-N
XLogP5.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.88
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-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 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole?
The IUPAC name of 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole (CID 70484276) is 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole.
What is the SMILES notation for 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole?
The canonical SMILES for 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole is Clc1ccc(/C=C/CC2CC(c3ccccc3)=CCN2)c2cc[nH]c12.
What is the InChIKey of 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole?
The InChIKey is BRTFPNPOFCWSOV-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H21ClN2/c23-21-10-9-17(20-12-14-25-22(20)21)7-4-8-19-15-18(11-13-24-19)16-5-2-1-3-6-16/h1-7,9-12,14,19,24-25H,8,13,15H2/b7-4+.
What are the key properties of 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole?
7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole has a molecular weight of 348.88 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole is sourced from PubChem (CID 70484276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).