6-amino-4-(trifluoromethyl)-6H-quinolin-2-one

C10H7F3N2O — CID 73240360

IUPAC6-amino-4-(trifluoromethyl)-6H-quinolin-2-one
SMILESNC1C=CC2=NC(=O)C=C(C(F)(F)F)C2=C1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8/h1-5H,14H2
InChIKeyKICIAUMMQZDVIK-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.28
Rot. Bonds

About 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one

6-amino-4-(trifluoromethyl)-6H-quinolin-2-one (PubChem CID 73240360) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-4-(trifluoromethyl)-6H-quinolin-2-one
PubChem CID73240360
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name6-amino-4-(trifluoromethyl)-6H-quinolin-2-one
SMILESNC1C=CC2=NC(=O)C=C(C(F)(F)F)C2=C1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8/h1-5H,14H2
InChIKeyKICIAUMMQZDVIK-UHFFFAOYSA-N
XLogP1.28
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73083461
7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 78173897
6-Methylidene-4-(trifluoromethyl)quinolin-2-one
CID 78177323
3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one
CID 78180206
7-(trifluoromethyl)-4aH-quinoxalin-2-one
CID 85448757
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one
CID 146158605
6-amino-6H-quinolin-2-one
CID 77881350
6-(aminomethyl)-6H-quinolin-2-one
CID 178189715

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one?
The IUPAC name of 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one (CID 73240360) is 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one.
What is the SMILES notation for 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one?
The canonical SMILES for 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one is NC1C=CC2=NC(=O)C=C(C(F)(F)F)C2=C1.
What is the InChIKey of 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one?
The InChIKey is KICIAUMMQZDVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8/h1-5H,14H2.
What are the key properties of 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one?
6-amino-4-(trifluoromethyl)-6H-quinolin-2-one has a molecular weight of 228.17 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(trifluoromethyl)-6H-quinolin-2-one is sourced from PubChem (CID 73240360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).