1-chloro-4H-quinoline

C9H8ClN — CID 87098649

IUPAC1-chloro-4H-quinoline
SMILESClN1C=CCc2ccccc21
InChIInChI=1S/C9H8ClN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-4,6-7H,5H2
InChIKeyFMILGPGYVKSVQA-UHFFFAOYSA-N
MW165.62 g/mol
LogP2.72
Rot. Bonds

About 1-chloro-4H-quinoline

1-chloro-4H-quinoline (PubChem CID 87098649) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 1-chloro-4H-quinoline.

Molecular Properties

Compound Name1-chloro-4H-quinoline
PubChem CID87098649
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name1-chloro-4H-quinoline
SMILESClN1C=CCc2ccccc21
InChIInChI=1S/C9H8ClN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-4,6-7H,5H2
InChIKeyFMILGPGYVKSVQA-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4H-quinoline?
The IUPAC name of 1-chloro-4H-quinoline (CID 87098649) is 1-chloro-4H-quinoline.
What is the SMILES notation for 1-chloro-4H-quinoline?
The canonical SMILES for 1-chloro-4H-quinoline is ClN1C=CCc2ccccc21.
What is the InChIKey of 1-chloro-4H-quinoline?
The InChIKey is FMILGPGYVKSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-4,6-7H,5H2.
What are the key properties of 1-chloro-4H-quinoline?
1-chloro-4H-quinoline has a molecular weight of 165.62 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4H-quinoline is sourced from PubChem (CID 87098649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).