2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline

C18H15ClN2 — CID 60669763

IUPAC2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
SMILESClc1nc2ccccc2cc1CN1CCc2ccccc21
InChIInChI=1S/C18H15ClN2/c19-18-15(11-14-6-1-3-7-16(14)20-18)12-21-10-9-13-5-2-4-8-17(13)21/h1-8,11H,9-10,12H2
InChIKeyPWSFMIJLGGBSAI-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.45
Rot. Bonds2

About 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline

2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline (PubChem CID 60669763) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
PubChem CID60669763
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
SMILESClc1nc2ccccc2cc1CN1CCc2ccccc21
InChIInChI=1S/C18H15ClN2/c19-18-15(11-14-6-1-3-7-16(14)20-18)12-21-10-9-13-5-2-4-8-17(13)21/h1-8,11H,9-10,12H2
InChIKeyPWSFMIJLGGBSAI-UHFFFAOYSA-N
XLogP4.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline?
The IUPAC name of 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline (CID 60669763) is 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline.
What is the SMILES notation for 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline?
The canonical SMILES for 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline is Clc1nc2ccccc2cc1CN1CCc2ccccc21.
What is the InChIKey of 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline?
The InChIKey is PWSFMIJLGGBSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-18-15(11-14-6-1-3-7-16(14)20-18)12-21-10-9-13-5-2-4-8-17(13)21/h1-8,11H,9-10,12H2.
What are the key properties of 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline?
2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline has a molecular weight of 294.79 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline is sourced from PubChem (CID 60669763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).