4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine

C18H11ClF3N3O — CID 155412371

IUPAC4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine
SMILESFC(F)(F)Oc1ccc2c(Cl)cc(Nc3ccc4cc[nH]c4c3)nc2c1
InChIInChI=1S/C18H11ClF3N3O/c19-14-9-17(24-11-2-1-10-5-6-23-15(10)7-11)25-16-8-12(3-4-13(14)16)26-18(20,21)22/h1-9,23H,(H,24,25)
InChIKeyHKWPSSWFWNHTLG-UHFFFAOYSA-N
MW377.75 g/mol
LogP6.01
Rot. Bonds3

About 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine

4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine (PubChem CID 155412371) has the molecular formula C18H11ClF3N3O and a molecular weight of 377.75 g/mol. Its IUPAC name is 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine
PubChem CID155412371
Molecular FormulaC18H11ClF3N3O
Molecular Weight377.75 g/mol
Exact Mass377.05
IUPAC Name4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine
SMILESFC(F)(F)Oc1ccc2c(Cl)cc(Nc3ccc4cc[nH]c4c3)nc2c1
InChIInChI=1S/C18H11ClF3N3O/c19-14-9-17(24-11-2-1-10-5-6-23-15(10)7-11)25-16-8-12(3-4-13(14)16)26-18(20,21)22/h1-9,23H,(H,24,25)
InChIKeyHKWPSSWFWNHTLG-UHFFFAOYSA-N
XLogP6.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine?
The IUPAC name of 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine (CID 155412371) is 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine.
What is the SMILES notation for 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine?
The canonical SMILES for 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine is FC(F)(F)Oc1ccc2c(Cl)cc(Nc3ccc4cc[nH]c4c3)nc2c1.
What is the InChIKey of 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine?
The InChIKey is HKWPSSWFWNHTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O/c19-14-9-17(24-11-2-1-10-5-6-23-15(10)7-11)25-16-8-12(3-4-13(14)16)26-18(20,21)22/h1-9,23H,(H,24,25).
What are the key properties of 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine?
4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine has a molecular weight of 377.75 g/mol, XLogP of 6.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-indol-6-yl)-7-(trifluoromethoxy)quinolin-2-amine is sourced from PubChem (CID 155412371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).