2,3-dimethylquinoline-4-carbonyl chloride

C12H10ClNO — CID 59105963

IUPAC2,3-dimethylquinoline-4-carbonyl chloride
SMILESCc1nc2ccccc2c(C(=O)Cl)c1C
InChIInChI=1S/C12H10ClNO/c1-7-8(2)14-10-6-4-3-5-9(10)11(7)12(13)15/h3-6H,1-2H3
InChIKeyJFGZOOLORPTHBZ-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.23
Rot. Bonds1

About 2,3-dimethylquinoline-4-carbonyl chloride

2,3-dimethylquinoline-4-carbonyl chloride (PubChem CID 59105963) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 2,3-dimethylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2,3-dimethylquinoline-4-carbonyl chloride
PubChem CID59105963
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name2,3-dimethylquinoline-4-carbonyl chloride
SMILESCc1nc2ccccc2c(C(=O)Cl)c1C
InChIInChI=1S/C12H10ClNO/c1-7-8(2)14-10-6-4-3-5-9(10)11(7)12(13)15/h3-6H,1-2H3
InChIKeyJFGZOOLORPTHBZ-UHFFFAOYSA-N
XLogP3.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-trimethylquinoline-4-carbonyl chloride
CID 146553345
2,3-dimethylquinoline-4-carbothioamide
CID 13245257
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
3-methylquinoline-4-carbonyl chloride
CID 119093566
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine
CID 18681645
N,N-dimethylacridine-9-carboxamide
CID 125496081
2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline
CID 59898299
bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane
CID 158524529
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone
CID 146222060

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylquinoline-4-carbonyl chloride?
The IUPAC name of 2,3-dimethylquinoline-4-carbonyl chloride (CID 59105963) is 2,3-dimethylquinoline-4-carbonyl chloride.
What is the SMILES notation for 2,3-dimethylquinoline-4-carbonyl chloride?
The canonical SMILES for 2,3-dimethylquinoline-4-carbonyl chloride is Cc1nc2ccccc2c(C(=O)Cl)c1C.
What is the InChIKey of 2,3-dimethylquinoline-4-carbonyl chloride?
The InChIKey is JFGZOOLORPTHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-7-8(2)14-10-6-4-3-5-9(10)11(7)12(13)15/h3-6H,1-2H3.
What are the key properties of 2,3-dimethylquinoline-4-carbonyl chloride?
2,3-dimethylquinoline-4-carbonyl chloride has a molecular weight of 219.67 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylquinoline-4-carbonyl chloride is sourced from PubChem (CID 59105963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).