8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline

C13H14ClN — CID 19833134

IUPAC8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline
SMILESClc1ccc2c(c1)CCC1=C2CCCN1
InChIInChI=1S/C13H14ClN/c14-10-4-5-11-9(8-10)3-6-13-12(11)2-1-7-15-13/h4-5,8,15H,1-3,6-7H2
InChIKeyLWBUFVBZEQZNDP-UHFFFAOYSA-N
MW219.71 g/mol
LogP3.38
Rot. Bonds

About 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline

8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline (PubChem CID 19833134) has the molecular formula C13H14ClN and a molecular weight of 219.71 g/mol. Its IUPAC name is 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline.

Molecular Properties

Compound Name8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline
PubChem CID19833134
Molecular FormulaC13H14ClN
Molecular Weight219.71 g/mol
Exact Mass219.08
IUPAC Name8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline
SMILESClc1ccc2c(c1)CCC1=C2CCCN1
InChIInChI=1S/C13H14ClN/c14-10-4-5-11-9(8-10)3-6-13-12(11)2-1-7-15-13/h4-5,8,15H,1-3,6-7H2
InChIKeyLWBUFVBZEQZNDP-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline?
The IUPAC name of 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline (CID 19833134) is 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline.
What is the SMILES notation for 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline?
The canonical SMILES for 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline is Clc1ccc2c(c1)CCC1=C2CCCN1.
What is the InChIKey of 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline?
The InChIKey is LWBUFVBZEQZNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c14-10-4-5-11-9(8-10)3-6-13-12(11)2-1-7-15-13/h4-5,8,15H,1-3,6-7H2.
What are the key properties of 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline?
8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline has a molecular weight of 219.71 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline is sourced from PubChem (CID 19833134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).