2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride

C17H11ClFNO2 — CID 169130695

IUPAC2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
SMILESCOc1cc(-c2cccc(F)c2)nc2cc(C(=O)Cl)ccc12
InChIInChI=1S/C17H11ClFNO2/c1-22-16-9-14(10-3-2-4-12(19)7-10)20-15-8-11(17(18)21)5-6-13(15)16/h2-9H,1H3
InChIKeyJMVYBHNBQOJPTA-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.43
Rot. Bonds3

About 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride

2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride (PubChem CID 169130695) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
PubChem CID169130695
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
SMILESCOc1cc(-c2cccc(F)c2)nc2cc(C(=O)Cl)ccc12
InChIInChI=1S/C17H11ClFNO2/c1-22-16-9-14(10-3-2-4-12(19)7-10)20-15-8-11(17(18)21)5-6-13(15)16/h2-9H,1H3
InChIKeyJMVYBHNBQOJPTA-UHFFFAOYSA-N
XLogP4.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.43
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
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
8-chloro-4,7-dimethoxyquinoline-2-carbonitrile;[2-(3-fluorophenyl)-7-methoxyquinolin-4-yl] hypofluorite
CID 143750373
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611
2-(3-fluorophenyl)-1,3-benzothiazole-6-carbonyl chloride
CID 95930246
6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
CID 176738722
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
[4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171618872
2-(5-acetyl-2-methoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 32622617

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride?
The IUPAC name of 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride (CID 169130695) is 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride?
The canonical SMILES for 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride is COc1cc(-c2cccc(F)c2)nc2cc(C(=O)Cl)ccc12.
What is the InChIKey of 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride?
The InChIKey is JMVYBHNBQOJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-22-16-9-14(10-3-2-4-12(19)7-10)20-15-8-11(17(18)21)5-6-13(15)16/h2-9H,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride?
2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride has a molecular weight of 315.73 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride is sourced from PubChem (CID 169130695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).