7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one

C13H13F3N2O — CID 22279036

IUPAC7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N
InChIInChI=1S/C13H13F3N2O/c1-2-3-7-4-8-9(13(14,15)16)5-12(19)18-11(8)6-10(7)17/h4-6H,2-3,17H2,1H3,(H,18,19)
InChIKeyJNKRRWINMVLNQY-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.08
Rot. Bonds2

About 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one

7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279036) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279036
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N
InChIInChI=1S/C13H13F3N2O/c1-2-3-7-4-8-9(13(14,15)16)5-12(19)18-11(8)6-10(7)17/h4-6H,2-3,17H2,1H3,(H,18,19)
InChIKeyJNKRRWINMVLNQY-UHFFFAOYSA-N
XLogP3.08
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279036) is 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one is CCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N.
What is the InChIKey of 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is JNKRRWINMVLNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-2-3-7-4-8-9(13(14,15)16)5-12(19)18-11(8)6-10(7)17/h4-6H,2-3,17H2,1H3,(H,18,19).
What are the key properties of 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one?
7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 270.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-propyl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).