6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline

C22H20ClN3 — CID 122190659

IUPAC6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline
SMILESClc1ccc2nccc(N3CCC(c4c[nH]c5ccccc45)CC3)c2c1
InChIInChI=1S/C22H20ClN3/c23-16-5-6-21-18(13-16)22(7-10-24-21)26-11-8-15(9-12-26)19-14-25-20-4-2-1-3-17(19)20/h1-7,10,13-15,25H,8-9,11-12H2
InChIKeyJZCNCXZCPQQXAQ-UHFFFAOYSA-N
MW361.88 g/mol
LogP5.75
Rot. Bonds2

About 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline

6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline (PubChem CID 122190659) has the molecular formula C22H20ClN3 and a molecular weight of 361.88 g/mol. Its IUPAC name is 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline
PubChem CID122190659
Molecular FormulaC22H20ClN3
Molecular Weight361.88 g/mol
Exact Mass361.13
IUPAC Name6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline
SMILESClc1ccc2nccc(N3CCC(c4c[nH]c5ccccc45)CC3)c2c1
InChIInChI=1S/C22H20ClN3/c23-16-5-6-21-18(13-16)22(7-10-24-21)26-11-8-15(9-12-26)19-14-25-20-4-2-1-3-17(19)20/h1-7,10,13-15,25H,8-9,11-12H2
InChIKeyJZCNCXZCPQQXAQ-UHFFFAOYSA-N
XLogP5.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.88
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline?
The IUPAC name of 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline (CID 122190659) is 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline is Clc1ccc2nccc(N3CCC(c4c[nH]c5ccccc45)CC3)c2c1.
What is the InChIKey of 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline?
The InChIKey is JZCNCXZCPQQXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3/c23-16-5-6-21-18(13-16)22(7-10-24-21)26-11-8-15(9-12-26)19-14-25-20-4-2-1-3-17(19)20/h1-7,10,13-15,25H,8-9,11-12H2.
What are the key properties of 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline?
6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline has a molecular weight of 361.88 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 122190659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).