1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride

C19H11Cl2F3N2O — CID 86594796

IUPAC1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride
SMILESCl.O=C(Cl)c1cn(-c2ccnc3ccc(C(F)(F)F)cc23)c2ccccc12
InChIInChI=1S/C19H10ClF3N2O.ClH/c20-18(26)14-10-25(16-4-2-1-3-12(14)16)17-7-8-24-15-6-5-11(9-13(15)17)19(21,22)23;/h1-10H;1H
InChIKeyGUYZJTGKYCQRTB-UHFFFAOYSA-N
MW411.21 g/mol
LogP6.00
Rot. Bonds2

About 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride

1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride (PubChem CID 86594796) has the molecular formula C19H11Cl2F3N2O and a molecular weight of 411.21 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride
PubChem CID86594796
Molecular FormulaC19H11Cl2F3N2O
Molecular Weight411.21 g/mol
Exact Mass410.02
IUPAC Name1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride
SMILESCl.O=C(Cl)c1cn(-c2ccnc3ccc(C(F)(F)F)cc23)c2ccccc12
InChIInChI=1S/C19H10ClF3N2O.ClH/c20-18(26)14-10-25(16-4-2-1-3-12(14)16)17-7-8-24-15-6-5-11(9-13(15)17)19(21,22)23;/h1-10H;1H
InChIKeyGUYZJTGKYCQRTB-UHFFFAOYSA-N
XLogP6.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.21
LogP ≤ 56.00
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-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride?
The IUPAC name of 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride (CID 86594796) is 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride.
What is the SMILES notation for 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride?
The canonical SMILES for 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride is Cl.O=C(Cl)c1cn(-c2ccnc3ccc(C(F)(F)F)cc23)c2ccccc12.
What is the InChIKey of 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride?
The InChIKey is GUYZJTGKYCQRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2O.ClH/c20-18(26)14-10-25(16-4-2-1-3-12(14)16)17-7-8-24-15-6-5-11(9-13(15)17)19(21,22)23;/h1-10H;1H.
What are the key properties of 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride?
1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride has a molecular weight of 411.21 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride;hydrochloride is sourced from PubChem (CID 86594796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).