2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one

C17H19F3N2O — CID 10567980

IUPAC2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one
SMILESCCCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1
InChIInChI=1S/C17H19F3N2O/c1-3-5-16(2)6-4-10-7-11-12(17(18,19)20)8-15(23)21-14(11)9-13(10)22-16/h7-9,22H,3-6H2,1-2H3,(H,21,23)
InChIKeyOZOCEQJJPURLNT-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.46
Rot. Bonds2

About 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one

2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one (PubChem CID 10567980) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one
PubChem CID10567980
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one
SMILESCCCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1
InChIInChI=1S/C17H19F3N2O/c1-3-5-16(2)6-4-10-7-11-12(17(18,19)20)8-15(23)21-14(11)9-13(10)22-16/h7-9,22H,3-6H2,1-2H3,(H,21,23)
InChIKeyOZOCEQJJPURLNT-UHFFFAOYSA-N
XLogP4.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
LG-121071
CID 9839132
7-Amino-4-methyl-2-quinolinone
CID 88277
7-Amino-4-trifluoromethyl-2-quinolinone
CID 194069
4-(Trifluoromethyl)-8,8-dimethyl-8,9-dihydropyrido[3,2-g]quinolin-2(1H)-one
CID 10851308
7-((2,2,3,3,3-Pentafluoropropyl)amino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22278979
6-Ethyl-7-(methylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22278998
7-Methylamino-4-trifluoromethyl-2(1h)-quinolinone
CID 22279012
7-[(2-Methylbutan-2-yl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279020
7-(Propan-2-ylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279031
7-[(2,2-Dimethylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279035
7-Amino-6-propyl-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one?
The IUPAC name of 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one (CID 10567980) is 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one is CCCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1.
What is the InChIKey of 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one?
The InChIKey is OZOCEQJJPURLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-3-5-16(2)6-4-10-7-11-12(17(18,19)20)8-15(23)21-14(11)9-13(10)22-16/h7-9,22H,3-6H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one?
2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one has a molecular weight of 324.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 10567980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).