1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one

C16H17F3N2O — CID 154316777

IUPAC1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one
SMILESCC(C)=CCc1ccc2c(C(F)(F)F)cc(=O)n(N)c2c1C
InChIInChI=1S/C16H17F3N2O/c1-9(2)4-5-11-6-7-12-13(16(17,18)19)8-14(22)21(20)15(12)10(11)3/h4,6-8H,5,20H2,1-3H3
InChIKeyGWSQTRMXDHCIBJ-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.55
Rot. Bonds2

About 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one

1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one (PubChem CID 154316777) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one
PubChem CID154316777
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one
SMILESCC(C)=CCc1ccc2c(C(F)(F)F)cc(=O)n(N)c2c1C
InChIInChI=1S/C16H17F3N2O/c1-9(2)4-5-11-6-7-12-13(16(17,18)19)8-14(22)21(20)15(12)10(11)3/h4,6-8H,5,20H2,1-3H3
InChIKeyGWSQTRMXDHCIBJ-UHFFFAOYSA-N
XLogP3.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one (CID 154316777) is 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one is CC(C)=CCc1ccc2c(C(F)(F)F)cc(=O)n(N)c2c1C.
What is the InChIKey of 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is GWSQTRMXDHCIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-9(2)4-5-11-6-7-12-13(16(17,18)19)8-14(22)21(20)15(12)10(11)3/h4,6-8H,5,20H2,1-3H3.
What are the key properties of 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one?
1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 310.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-8-methyl-7-(3-methylbut-2-enyl)-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 154316777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).