6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride

C17H10ClF2NO2 — CID 176738722

IUPAC6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
SMILESCOc1cc(-c2ccccc2F)nc2cc(C(=O)Cl)c(F)cc12
InChIInChI=1S/C17H10ClF2NO2/c1-23-16-8-15(9-4-2-3-5-12(9)19)21-14-7-10(17(18)22)13(20)6-11(14)16/h2-8H,1H3
InChIKeyMNCATZOPELSNHQ-UHFFFAOYSA-N
MW333.72 g/mol
LogP4.57
Rot. Bonds3

About 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride

6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride (PubChem CID 176738722) has the molecular formula C17H10ClF2NO2 and a molecular weight of 333.72 g/mol. Its IUPAC name is 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride.

Molecular Properties

Compound Name6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
PubChem CID176738722
Molecular FormulaC17H10ClF2NO2
Molecular Weight333.72 g/mol
Exact Mass333.04
IUPAC Name6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
SMILESCOc1cc(-c2ccccc2F)nc2cc(C(=O)Cl)c(F)cc12
InChIInChI=1S/C17H10ClF2NO2/c1-23-16-8-15(9-4-2-3-5-12(9)19)21-14-7-10(17(18)22)13(20)6-11(14)16/h2-8H,1H3
InChIKeyMNCATZOPELSNHQ-UHFFFAOYSA-N
XLogP4.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-4-methoxy-2-phenylquinoline-7-carbonyl chloride
CID 169130449
methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate
CID 169130532
2-[(6-fluoro-4-methoxy-2-phenylquinolin-7-yl)-methoxymethylidene]propanedinitrile
CID 169130430
2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
CID 169130695
7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
CID 18073623
[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate
CID 24812775
6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779420
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate
CID 116895174
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
2-naphthalen-1-ylquinoline-4-carbonyl chloride
CID 91689267
2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride
CID 46779305

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride?
The IUPAC name of 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride (CID 176738722) is 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride.
What is the SMILES notation for 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride?
The canonical SMILES for 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride is COc1cc(-c2ccccc2F)nc2cc(C(=O)Cl)c(F)cc12.
What is the InChIKey of 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride?
The InChIKey is MNCATZOPELSNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO2/c1-23-16-8-15(9-4-2-3-5-12(9)19)21-14-7-10(17(18)22)13(20)6-11(14)16/h2-8H,1H3.
What are the key properties of 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride?
6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride has a molecular weight of 333.72 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride is sourced from PubChem (CID 176738722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).