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

C22H21ClN2 — CID 70497626

IUPAC6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole
SMILESClc1cc(C=CCC2CC(c3ccccc3)=CCN2)c2cc[nH]c2c1
InChIInChI=1S/C22H21ClN2/c23-19-13-18(21-10-12-25-22(21)15-19)7-4-8-20-14-17(9-11-24-20)16-5-2-1-3-6-16/h1-7,9-10,12-13,15,20,24-25H,8,11,14H2
InChIKeyQYNHSYOTXLNVOD-UHFFFAOYSA-N
MW348.88 g/mol
LogP5.67
Rot. Bonds4

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

6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole (PubChem CID 70497626) has the molecular formula C22H21ClN2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole
PubChem CID70497626
Molecular FormulaC22H21ClN2
Molecular Weight348.88 g/mol
Exact Mass348.14
IUPAC Name6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole
SMILESClc1cc(C=CCC2CC(c3ccccc3)=CCN2)c2cc[nH]c2c1
InChIInChI=1S/C22H21ClN2/c23-19-13-18(21-10-12-25-22(21)15-19)7-4-8-20-14-17(9-11-24-20)16-5-2-1-3-6-16/h1-7,9-10,12-13,15,20,24-25H,8,11,14H2
InChIKeyQYNHSYOTXLNVOD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole?
The IUPAC name of 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole (CID 70497626) is 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole.
What is the SMILES notation for 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole?
The canonical SMILES for 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole is Clc1cc(C=CCC2CC(c3ccccc3)=CCN2)c2cc[nH]c2c1.
What is the InChIKey of 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole?
The InChIKey is QYNHSYOTXLNVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2/c23-19-13-18(21-10-12-25-22(21)15-19)7-4-8-20-14-17(9-11-24-20)16-5-2-1-3-6-16/h1-7,9-10,12-13,15,20,24-25H,8,11,14H2.
What are the key properties of 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole?
6-chloro-4-[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 6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole is sourced from PubChem (CID 70497626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).