1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride

C19H10ClF3N2O — CID 86594801

IUPAC1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride
SMILESO=C(Cl)c1cn(-c2ccnc3c(C(F)(F)F)cccc23)c2ccccc12
InChIInChI=1S/C19H10ClF3N2O/c20-18(26)13-10-25(15-7-2-1-4-11(13)15)16-8-9-24-17-12(16)5-3-6-14(17)19(21,22)23/h1-10H
InChIKeyJKIIRRRBJKCHOP-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.58
Rot. Bonds2

About 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride

1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride (PubChem CID 86594801) has the molecular formula C19H10ClF3N2O and a molecular weight of 374.75 g/mol. Its IUPAC name is 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride.

Molecular Properties

Compound Name1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride
PubChem CID86594801
Molecular FormulaC19H10ClF3N2O
Molecular Weight374.75 g/mol
Exact Mass374.04
IUPAC Name1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride
SMILESO=C(Cl)c1cn(-c2ccnc3c(C(F)(F)F)cccc23)c2ccccc12
InChIInChI=1S/C19H10ClF3N2O/c20-18(26)13-10-25(15-7-2-1-4-11(13)15)16-8-9-24-17-12(16)5-3-6-14(17)19(21,22)23/h1-10H
InChIKeyJKIIRRRBJKCHOP-UHFFFAOYSA-N
XLogP5.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride?
The IUPAC name of 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride (CID 86594801) is 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride.
What is the SMILES notation for 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride?
The canonical SMILES for 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride is O=C(Cl)c1cn(-c2ccnc3c(C(F)(F)F)cccc23)c2ccccc12.
What is the InChIKey of 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride?
The InChIKey is JKIIRRRBJKCHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2O/c20-18(26)13-10-25(15-7-2-1-4-11(13)15)16-8-9-24-17-12(16)5-3-6-14(17)19(21,22)23/h1-10H.
What are the key properties of 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride?
1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride has a molecular weight of 374.75 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride is sourced from PubChem (CID 86594801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).