7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one

C17H11F3N2O2 — CID 110668318

IUPAC7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one
SMILESCc1cc2ccc(N)cc2n(C(=O)c2ccc(F)c(F)c2F)c1=O
InChIInChI=1S/C17H11F3N2O2/c1-8-6-9-2-3-10(21)7-13(9)22(16(8)23)17(24)11-4-5-12(18)15(20)14(11)19/h2-7H,21H2,1H3
InChIKeyOZBFAKJHRYVHOY-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.00
Rot. Bonds1

About 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one

7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one (PubChem CID 110668318) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one
PubChem CID110668318
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one
SMILESCc1cc2ccc(N)cc2n(C(=O)c2ccc(F)c(F)c2F)c1=O
InChIInChI=1S/C17H11F3N2O2/c1-8-6-9-2-3-10(21)7-13(9)22(16(8)23)17(24)11-4-5-12(18)15(20)14(11)19/h2-7H,21H2,1H3
InChIKeyOZBFAKJHRYVHOY-UHFFFAOYSA-N
XLogP3.00
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one?
The IUPAC name of 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one (CID 110668318) is 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one.
What is the SMILES notation for 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one?
The canonical SMILES for 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one is Cc1cc2ccc(N)cc2n(C(=O)c2ccc(F)c(F)c2F)c1=O.
What is the InChIKey of 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one?
The InChIKey is OZBFAKJHRYVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c1-8-6-9-2-3-10(21)7-13(9)22(16(8)23)17(24)11-4-5-12(18)15(20)14(11)19/h2-7H,21H2,1H3.
What are the key properties of 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one?
7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one has a molecular weight of 332.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-1-(2,3,4-trifluorobenzoyl)quinolin-2-one is sourced from PubChem (CID 110668318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).