5-chlorobenzo[h]isoquinoline

C13H8ClN — CID 142525359

IUPAC5-chlorobenzo[h]isoquinoline
SMILESClc1cc2ccccc2c2cnccc12
InChIInChI=1S/C13H8ClN/c14-13-7-9-3-1-2-4-10(9)12-8-15-6-5-11(12)13/h1-8H
InChIKeyXMKRPBNLTQLLGH-UHFFFAOYSA-N
MW213.67 g/mol
LogP4.04
Rot. Bonds

About 5-chlorobenzo[h]isoquinoline

5-chlorobenzo[h]isoquinoline (PubChem CID 142525359) has the molecular formula C13H8ClN and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chlorobenzo[h]isoquinoline.

Molecular Properties

Compound Name5-chlorobenzo[h]isoquinoline
PubChem CID142525359
Molecular FormulaC13H8ClN
Molecular Weight213.67 g/mol
Exact Mass213.03
IUPAC Name5-chlorobenzo[h]isoquinoline
SMILESClc1cc2ccccc2c2cnccc12
InChIInChI=1S/C13H8ClN/c14-13-7-9-3-1-2-4-10(9)12-8-15-6-5-11(12)13/h1-8H
InChIKeyXMKRPBNLTQLLGH-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-phenanthren-9-ylisoquinoline
CID 171383107
4-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene
CID 146641531
sodium;N-butan-2-ylbenzo[h]isoquinolin-5-amine;hydride
CID 174050027
10-chlorophenanthren-2-amine
CID 4101770
3,8-phenanthroline
CID 13064691
11-methylnaphtho[1,2-h]isoquinoline
CID 134973288
3-bromo-2-chlorophenanthrene
CID 166845355
9-(4-chloronaphthalen-2-yl)phenanthrene
CID 169007345
4-chloro-2,7-naphthyridin-1-amine
CID 71721041
7-chloro-6-fluoro-5-methylisoquinoline
CID 163886535
4-chlorobenzo[g][1]benzofuran
CID 176753824
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268

Frequently Asked Questions

What is the IUPAC name of 5-chlorobenzo[h]isoquinoline?
The IUPAC name of 5-chlorobenzo[h]isoquinoline (CID 142525359) is 5-chlorobenzo[h]isoquinoline.
What is the SMILES notation for 5-chlorobenzo[h]isoquinoline?
The canonical SMILES for 5-chlorobenzo[h]isoquinoline is Clc1cc2ccccc2c2cnccc12.
What is the InChIKey of 5-chlorobenzo[h]isoquinoline?
The InChIKey is XMKRPBNLTQLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN/c14-13-7-9-3-1-2-4-10(9)12-8-15-6-5-11(12)13/h1-8H.
What are the key properties of 5-chlorobenzo[h]isoquinoline?
5-chlorobenzo[h]isoquinoline has a molecular weight of 213.67 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorobenzo[h]isoquinoline is sourced from PubChem (CID 142525359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).