2,3-dichloroquinoline;toluene

C16H13Cl2N — CID 174855032

IUPAC2,3-dichloroquinoline;toluene
SMILESCc1ccccc1.Clc1cc2ccccc2nc1Cl
InChIInChI=1S/C9H5Cl2N.C7H8/c10-7-5-6-3-1-2-4-8(6)12-9(7)11;1-7-5-3-2-4-6-7/h1-5H;2-6H,1H3
InChIKeyPIPBKVGTGVWGBA-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.54
Rot. Bonds

About 2,3-dichloroquinoline;toluene

2,3-dichloroquinoline;toluene (PubChem CID 174855032) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is 2,3-dichloroquinoline;toluene.

Molecular Properties

Compound Name2,3-dichloroquinoline;toluene
PubChem CID174855032
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name2,3-dichloroquinoline;toluene
SMILESCc1ccccc1.Clc1cc2ccccc2nc1Cl
InChIInChI=1S/C9H5Cl2N.C7H8/c10-7-5-6-3-1-2-4-8(6)12-9(7)11;1-7-5-3-2-4-6-7/h1-5H;2-6H,1H3
InChIKeyPIPBKVGTGVWGBA-UHFFFAOYSA-N
XLogP5.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.19
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Acridine
CID 9215
2-Methylquinoline
CID 7060
2-Phenylquinoline
CID 71545
2,4-Dimethylquinoline
CID 14536
Acridine, 1,2,3,4-tetrahydro-9-amino-7-chloro-
CID 22493
9-Chloro-1,2,3,4-tetrahydroacridine
CID 21495
9-Methylacridine
CID 11913
9-Chloroacridine
CID 71013
2-Chloro-3-(chloromethyl)quinoline
CID 2063384
7-Chloro-2-methylquinoline
CID 138395
2-Chloroquinoline
CID 11928
(E)-2-Styrylquinoline
CID 5357469

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloroquinoline;toluene?
The IUPAC name of 2,3-dichloroquinoline;toluene (CID 174855032) is 2,3-dichloroquinoline;toluene.
What is the SMILES notation for 2,3-dichloroquinoline;toluene?
The canonical SMILES for 2,3-dichloroquinoline;toluene is Cc1ccccc1.Clc1cc2ccccc2nc1Cl.
What is the InChIKey of 2,3-dichloroquinoline;toluene?
The InChIKey is PIPBKVGTGVWGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N.C7H8/c10-7-5-6-3-1-2-4-8(6)12-9(7)11;1-7-5-3-2-4-6-7/h1-5H;2-6H,1H3.
What are the key properties of 2,3-dichloroquinoline;toluene?
2,3-dichloroquinoline;toluene has a molecular weight of 290.19 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloroquinoline;toluene is sourced from PubChem (CID 174855032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).