4,5,7-trichloro-6-fluoro-2-propylquinoline

C12H9Cl3FN — CID 107577483

IUPAC4,5,7-trichloro-6-fluoro-2-propylquinoline
SMILESCCCc1cc(Cl)c2c(Cl)c(F)c(Cl)cc2n1
InChIInChI=1S/C12H9Cl3FN/c1-2-3-6-4-7(13)10-9(17-6)5-8(14)12(16)11(10)15/h4-5H,2-3H2,1H3
InChIKeyPPYHBZOAHUBNDH-UHFFFAOYSA-N
MW292.57 g/mol
LogP5.29
Rot. Bonds2

About 4,5,7-trichloro-6-fluoro-2-propylquinoline

4,5,7-trichloro-6-fluoro-2-propylquinoline (PubChem CID 107577483) has the molecular formula C12H9Cl3FN and a molecular weight of 292.57 g/mol. Its IUPAC name is 4,5,7-trichloro-6-fluoro-2-propylquinoline.

Molecular Properties

Compound Name4,5,7-trichloro-6-fluoro-2-propylquinoline
PubChem CID107577483
Molecular FormulaC12H9Cl3FN
Molecular Weight292.57 g/mol
Exact Mass290.98
IUPAC Name4,5,7-trichloro-6-fluoro-2-propylquinoline
SMILESCCCc1cc(Cl)c2c(Cl)c(F)c(Cl)cc2n1
InChIInChI=1S/C12H9Cl3FN/c1-2-3-6-4-7(13)10-9(17-6)5-8(14)12(16)11(10)15/h4-5H,2-3H2,1H3
InChIKeyPPYHBZOAHUBNDH-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.57
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 107578795
4,5,7-trichloro-2-ethyl-6-fluoro-3-methylquinoline
CID 107577499
4,6-dichloro-8-fluoro-2-propylquinoline
CID 43668690
4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid
CID 107579516
4-chloro-2,6-dipropylquinoline
CID 43668449
4-chloro-6,7-dimethoxy-2-propylquinoline
CID 43668677
5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine
CID 107579458
6-fluoro-2-propylquinoxaline
CID 144941009
2-(2-chloro-4-fluorophenyl)-6-propylpyridine
CID 102345824
6,7-dichloro-2-hexylquinoxaline
CID 156775502
5,6,8-trichloro-2-propylquinolin-4-amine
CID 63481244
10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668414

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trichloro-6-fluoro-2-propylquinoline?
The IUPAC name of 4,5,7-trichloro-6-fluoro-2-propylquinoline (CID 107577483) is 4,5,7-trichloro-6-fluoro-2-propylquinoline.
What is the SMILES notation for 4,5,7-trichloro-6-fluoro-2-propylquinoline?
The canonical SMILES for 4,5,7-trichloro-6-fluoro-2-propylquinoline is CCCc1cc(Cl)c2c(Cl)c(F)c(Cl)cc2n1.
What is the InChIKey of 4,5,7-trichloro-6-fluoro-2-propylquinoline?
The InChIKey is PPYHBZOAHUBNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3FN/c1-2-3-6-4-7(13)10-9(17-6)5-8(14)12(16)11(10)15/h4-5H,2-3H2,1H3.
What are the key properties of 4,5,7-trichloro-6-fluoro-2-propylquinoline?
4,5,7-trichloro-6-fluoro-2-propylquinoline has a molecular weight of 292.57 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trichloro-6-fluoro-2-propylquinoline is sourced from PubChem (CID 107577483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).