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

C16H17F3N2O — CID 10518992

IUPAC2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one
SMILESCC1CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21
InChIInChI=1S/C16H17F3N2O/c1-8-7-15(2,3)21-13-6-12-10(4-9(8)13)11(16(17,18)19)5-14(22)20-12/h4-6,8,21H,7H2,1-3H3,(H,20,22)
InChIKeySWMIPBWORQVDRL-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.24
Rot. Bonds

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

2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one (PubChem CID 10518992) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one
PubChem CID10518992
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one
SMILESCC1CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21
InChIInChI=1S/C16H17F3N2O/c1-8-7-15(2,3)21-13-6-12-10(4-9(8)13)11(16(17,18)19)5-14(22)20-12/h4-6,8,21H,7H2,1-3H3,(H,20,22)
InChIKeySWMIPBWORQVDRL-UHFFFAOYSA-N
XLogP4.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one with MolForge

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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
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
6-Methyl-7-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279049

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one?
The IUPAC name of 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one (CID 10518992) is 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one is CC1CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.
What is the InChIKey of 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one?
The InChIKey is SWMIPBWORQVDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-8-7-15(2,3)21-13-6-12-10(4-9(8)13)11(16(17,18)19)5-14(22)20-12/h4-6,8,21H,7H2,1-3H3,(H,20,22).
What are the key properties of 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one?
2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one has a molecular weight of 310.32 g/mol, XLogP of 4.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 10518992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).