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

C11H9F3N2O2 — CID 2794444

IUPAC6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1N
InChIInChI=1S/C11H9F3N2O2/c1-18-9-4-8-5(2-7(9)15)6(11(12,13)14)3-10(17)16-8/h2-4H,15H2,1H3,(H,16,17)
InChIKeyDNEZSIWNXDRSES-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.14
Rot. Bonds1

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

6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 2794444) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID2794444
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1N
InChIInChI=1S/C11H9F3N2O2/c1-18-9-4-8-5(2-7(9)15)6(11(12,13)14)3-10(17)16-8/h2-4H,15H2,1H3,(H,16,17)
InChIKeyDNEZSIWNXDRSES-UHFFFAOYSA-N
XLogP2.14
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one (CID 2794444) is 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one is COc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1N.
What is the InChIKey of 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is DNEZSIWNXDRSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-18-9-4-8-5(2-7(9)15)6(11(12,13)14)3-10(17)16-8/h2-4H,15H2,1H3,(H,16,17).
What are the key properties of 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 258.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 2794444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).