2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one

C15H13F3N2O — CID 10851308

IUPAC2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one
SMILESCC1(C)C=Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1
InChIInChI=1S/C15H13F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h3-7,20H,1-2H3,(H,19,21)
InChIKeyMMLSXRYBGYGQEP-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.76
Rot. Bonds

About 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one

2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one (PubChem CID 10851308) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one
PubChem CID10851308
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one
SMILESCC1(C)C=Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1
InChIInChI=1S/C15H13F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h3-7,20H,1-2H3,(H,19,21)
InChIKeyMMLSXRYBGYGQEP-UHFFFAOYSA-N
XLogP3.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one?
The IUPAC name of 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one (CID 10851308) is 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one is CC1(C)C=Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1.
What is the InChIKey of 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one?
The InChIKey is MMLSXRYBGYGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h3-7,20H,1-2H3,(H,19,21).
What are the key properties of 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one?
2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one has a molecular weight of 294.28 g/mol, XLogP of 3.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(trifluoromethyl)-1,9-dihydropyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 10851308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).