6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile

C19H11F3N4 — CID 155412426

IUPAC6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc3ccc(C(F)(F)F)cc3n2)cc2[nH]ccc12
InChIInChI=1S/C19H11F3N4/c20-19(21,22)13-3-1-11-2-4-18(26-16(11)8-13)25-14-7-12(10-23)15-5-6-24-17(15)9-14/h1-9,24H,(H,25,26)
InChIKeyYVYCUSOOILYUSL-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.35
Rot. Bonds2

About 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile

6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile (PubChem CID 155412426) has the molecular formula C19H11F3N4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile
PubChem CID155412426
Molecular FormulaC19H11F3N4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc3ccc(C(F)(F)F)cc3n2)cc2[nH]ccc12
InChIInChI=1S/C19H11F3N4/c20-19(21,22)13-3-1-11-2-4-18(26-16(11)8-13)25-14-7-12(10-23)15-5-6-24-17(15)9-14/h1-9,24H,(H,25,26)
InChIKeyYVYCUSOOILYUSL-UHFFFAOYSA-N
XLogP5.35
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile?
The IUPAC name of 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile (CID 155412426) is 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile.
What is the SMILES notation for 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile?
The canonical SMILES for 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile is N#Cc1cc(Nc2ccc3ccc(C(F)(F)F)cc3n2)cc2[nH]ccc12.
What is the InChIKey of 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile?
The InChIKey is YVYCUSOOILYUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4/c20-19(21,22)13-3-1-11-2-4-18(26-16(11)8-13)25-14-7-12(10-23)15-5-6-24-17(15)9-14/h1-9,24H,(H,25,26).
What are the key properties of 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile?
6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile has a molecular weight of 352.32 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile is sourced from PubChem (CID 155412426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).