8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride

C12H7ClF3NO2 — CID 18002690

IUPAC8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
SMILESCOc1cccc2c(C(=O)Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H7ClF3NO2/c1-19-8-4-2-3-6-7(11(13)18)5-9(12(14,15)16)17-10(6)8/h2-5H,1H3
InChIKeyUBZWIYAKJWEBBT-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.64
Rot. Bonds2

About 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride

8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride (PubChem CID 18002690) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
PubChem CID18002690
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC Name8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
SMILESCOc1cccc2c(C(=O)Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H7ClF3NO2/c1-19-8-4-2-3-6-7(11(13)18)5-9(12(14,15)16)17-10(6)8/h2-5H,1H3
InChIKeyUBZWIYAKJWEBBT-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.64
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

4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
CID 130247540
methyl 8-bromo-2-(trifluoromethyl)quinoline-4-carboxylate
CID 10892971
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-2-methylpropan-1-one
CID 70886528
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
CID 59336016
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
2-ethyl-8-methoxy-4-(trifluoromethyl)quinoline
CID 167216577
5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627564
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627
3-[8-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 139924507
4-chloro-5-methoxy-2-(trifluoromethyl)quinoline
CID 621514
2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate
CID 7139771

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride?
The IUPAC name of 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride (CID 18002690) is 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride is COc1cccc2c(C(=O)Cl)cc(C(F)(F)F)nc12.
What is the InChIKey of 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride?
The InChIKey is UBZWIYAKJWEBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c1-19-8-4-2-3-6-7(11(13)18)5-9(12(14,15)16)17-10(6)8/h2-5H,1H3.
What are the key properties of 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride?
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride has a molecular weight of 289.64 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 18002690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).