2-chloro-10a,10b-dihydrobenzo[h]quinoline

C13H10ClN — CID 126631500

IUPAC2-chloro-10a,10b-dihydrobenzo[h]quinoline
SMILESClC1=NC2C(=CC=C3C=CC=CC32)C=C1
InChIInChI=1S/C13H10ClN/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-8,11,13H
InChIKeyQEJZQNUFMMLCIB-UHFFFAOYSA-N
MW215.68 g/mol
LogP3.17
Rot. Bonds

About 2-chloro-10a,10b-dihydrobenzo[h]quinoline

2-chloro-10a,10b-dihydrobenzo[h]quinoline (PubChem CID 126631500) has the molecular formula C13H10ClN and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-10a,10b-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name2-chloro-10a,10b-dihydrobenzo[h]quinoline
PubChem CID126631500
Molecular FormulaC13H10ClN
Molecular Weight215.68 g/mol
Exact Mass215.05
IUPAC Name2-chloro-10a,10b-dihydrobenzo[h]quinoline
SMILESClC1=NC2C(=CC=C3C=CC=CC32)C=C1
InChIInChI=1S/C13H10ClN/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-8,11,13H
InChIKeyQEJZQNUFMMLCIB-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10a,10b-dihydrobenzo[h]quinoline?
The IUPAC name of 2-chloro-10a,10b-dihydrobenzo[h]quinoline (CID 126631500) is 2-chloro-10a,10b-dihydrobenzo[h]quinoline.
What is the SMILES notation for 2-chloro-10a,10b-dihydrobenzo[h]quinoline?
The canonical SMILES for 2-chloro-10a,10b-dihydrobenzo[h]quinoline is ClC1=NC2C(=CC=C3C=CC=CC32)C=C1.
What is the InChIKey of 2-chloro-10a,10b-dihydrobenzo[h]quinoline?
The InChIKey is QEJZQNUFMMLCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-8,11,13H.
What are the key properties of 2-chloro-10a,10b-dihydrobenzo[h]quinoline?
2-chloro-10a,10b-dihydrobenzo[h]quinoline has a molecular weight of 215.68 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10a,10b-dihydrobenzo[h]quinoline is sourced from PubChem (CID 126631500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).