4,5,7-trichloroquinoline

C9H4Cl3N — CID 615835

IUPAC4,5,7-trichloroquinoline
SMILESClc1cc(Cl)c2c(Cl)ccnc2c1
InChIInChI=1S/C9H4Cl3N/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4H
InChIKeyWWFMSYKATMDLJP-UHFFFAOYSA-N
MW232.50 g/mol
LogP4.20
Rot. Bonds

About 4,5,7-trichloroquinoline

4,5,7-trichloroquinoline (PubChem CID 615835) has the molecular formula C9H4Cl3N and a molecular weight of 232.50 g/mol. Its IUPAC name is 4,5,7-trichloroquinoline.

Molecular Properties

Compound Name4,5,7-trichloroquinoline
PubChem CID615835
Molecular FormulaC9H4Cl3N
Molecular Weight232.50 g/mol
Exact Mass230.94
IUPAC Name4,5,7-trichloroquinoline
SMILESClc1cc(Cl)c2c(Cl)ccnc2c1
InChIInChI=1S/C9H4Cl3N/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4H
InChIKeyWWFMSYKATMDLJP-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-dichloro-4-phenylquinoline
CID 117062319
4,7-dichloroquinoline
CID 6866
4-chloroquinoline-5,7-diol
CID 170910283
5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline
CID 162640741
1,6,8-trichloroisoquinoline
CID 80505111
4-chloro-7-fluoro-5-methylquinoline
CID 79049378
cyclohexa-2,5-diene-1,4-dione;5,7-dichloro-4-(4-fluorophenoxy)quinoline
CID 174894059
4,5,7-trichloroquinolin-8-ol
CID 10999408
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
5-chloro-4-methylquinoline;ethane
CID 156751076
4-chloro-5-nitroquinoline
CID 12582845
2,4-dichloro-3-(3,5-dichlorophenyl)pyridine
CID 118995083

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trichloroquinoline?
The IUPAC name of 4,5,7-trichloroquinoline (CID 615835) is 4,5,7-trichloroquinoline.
What is the SMILES notation for 4,5,7-trichloroquinoline?
The canonical SMILES for 4,5,7-trichloroquinoline is Clc1cc(Cl)c2c(Cl)ccnc2c1.
What is the InChIKey of 4,5,7-trichloroquinoline?
The InChIKey is WWFMSYKATMDLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3N/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4H.
What are the key properties of 4,5,7-trichloroquinoline?
4,5,7-trichloroquinoline has a molecular weight of 232.50 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trichloroquinoline is sourced from PubChem (CID 615835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).