3-methylquinoline-4-carbonyl chloride

C11H8ClNO — CID 119093566

IUPAC3-methylquinoline-4-carbonyl chloride
SMILESCc1cnc2ccccc2c1C(=O)Cl
InChIInChI=1S/C11H8ClNO/c1-7-6-13-9-5-3-2-4-8(9)10(7)11(12)14/h2-6H,1H3
InChIKeyOBNBPMLRPGQEMR-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.92
Rot. Bonds1

About 3-methylquinoline-4-carbonyl chloride

3-methylquinoline-4-carbonyl chloride (PubChem CID 119093566) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 3-methylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name3-methylquinoline-4-carbonyl chloride
PubChem CID119093566
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name3-methylquinoline-4-carbonyl chloride
SMILESCc1cnc2ccccc2c1C(=O)Cl
InChIInChI=1S/C11H8ClNO/c1-7-6-13-9-5-3-2-4-8(9)10(7)11(12)14/h2-6H,1H3
InChIKeyOBNBPMLRPGQEMR-UHFFFAOYSA-N
XLogP2.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylquinoline-4-carbonyl chloride?
The IUPAC name of 3-methylquinoline-4-carbonyl chloride (CID 119093566) is 3-methylquinoline-4-carbonyl chloride.
What is the SMILES notation for 3-methylquinoline-4-carbonyl chloride?
The canonical SMILES for 3-methylquinoline-4-carbonyl chloride is Cc1cnc2ccccc2c1C(=O)Cl.
What is the InChIKey of 3-methylquinoline-4-carbonyl chloride?
The InChIKey is OBNBPMLRPGQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c1-7-6-13-9-5-3-2-4-8(9)10(7)11(12)14/h2-6H,1H3.
What are the key properties of 3-methylquinoline-4-carbonyl chloride?
3-methylquinoline-4-carbonyl chloride has a molecular weight of 205.64 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylquinoline-4-carbonyl chloride is sourced from PubChem (CID 119093566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).