3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole

C20H19ClN2 — CID 168941755

IUPAC3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole
SMILESClc1cccc2c(C3=CCCN(Cc4ccccc4)C3)c[nH]c12
InChIInChI=1S/C20H19ClN2/c21-19-10-4-9-17-18(12-22-20(17)19)16-8-5-11-23(14-16)13-15-6-2-1-3-7-15/h1-4,6-10,12,22H,5,11,13-14H2
InChIKeyHEMOAZIWRZWYKH-UHFFFAOYSA-N
MW322.84 g/mol
LogP5.11
Rot. Bonds3

About 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole

3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole (PubChem CID 168941755) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole.

Molecular Properties

Compound Name3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole
PubChem CID168941755
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC Name3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole
SMILESClc1cccc2c(C3=CCCN(Cc4ccccc4)C3)c[nH]c12
InChIInChI=1S/C20H19ClN2/c21-19-10-4-9-17-18(12-22-20(17)19)16-8-5-11-23(14-16)13-15-6-2-1-3-7-15/h1-4,6-10,12,22H,5,11,13-14H2
InChIKeyHEMOAZIWRZWYKH-UHFFFAOYSA-N
XLogP5.11
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole?
The IUPAC name of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole (CID 168941755) is 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole.
What is the SMILES notation for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole?
The canonical SMILES for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole is Clc1cccc2c(C3=CCCN(Cc4ccccc4)C3)c[nH]c12.
What is the InChIKey of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole?
The InChIKey is HEMOAZIWRZWYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c21-19-10-4-9-17-18(12-22-20(17)19)16-8-5-11-23(14-16)13-15-6-2-1-3-7-15/h1-4,6-10,12,22H,5,11,13-14H2.
What are the key properties of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole?
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole has a molecular weight of 322.84 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole is sourced from PubChem (CID 168941755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).