6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one

C10H9F3N2O — CID 70023407

IUPAC6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
SMILESNC1=Cc2c(C(F)(F)F)cc(=O)[nH]c2CC1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8/h3-4H,1-2,14H2,(H,15,16)
InChIKeyRRRBYYVRSVUQNP-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.64
Rot. Bonds

About 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one

6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one (PubChem CID 70023407) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
PubChem CID70023407
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
SMILESNC1=Cc2c(C(F)(F)F)cc(=O)[nH]c2CC1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8/h3-4H,1-2,14H2,(H,15,16)
InChIKeyRRRBYYVRSVUQNP-UHFFFAOYSA-N
XLogP1.64
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2H-isoquinolin-3-one
CID 14114910
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
8-Chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
CID 22218138
6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
CID 22218162
5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one
CID 69388423
6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
CID 70170910
3-Ethyl-6-(trifluoromethyl)pyridin-2-ol
CID 89003285
1-tert-butyl-6-fluoro-2H-isoquinolin-3-one
CID 90892190
6-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516161
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517869

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one (CID 70023407) is 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one is NC1=Cc2c(C(F)(F)F)cc(=O)[nH]c2CC1.
What is the InChIKey of 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one?
The InChIKey is RRRBYYVRSVUQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8/h3-4H,1-2,14H2,(H,15,16).
What are the key properties of 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one?
6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one has a molecular weight of 230.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70023407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).