(7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one

C16H17F3N2O — CID 10470625

IUPAC(7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
SMILESCC[C@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1C
InChIInChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/m1/s1
InChIKeyWDRIFNRAGUVDQZ-BDAKNGLRSA-N
MW310.32 g/mol
LogP3.93
Rot. Bonds1

About (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one

(7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one (PubChem CID 10470625) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one.

Molecular Properties

Compound Name(7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
PubChem CID10470625
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name(7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
SMILESCC[C@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1C
InChIInChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/m1/s1
InChIKeyWDRIFNRAGUVDQZ-BDAKNGLRSA-N
XLogP3.93
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-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
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
7-(Cyclopentylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279038
6-Methyl-7-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279049

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one?
The IUPAC name of (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one (CID 10470625) is (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one.
What is the SMILES notation for (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one?
The canonical SMILES for (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one is CC[C@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1C.
What is the InChIKey of (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one?
The InChIKey is WDRIFNRAGUVDQZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/m1/s1.
What are the key properties of (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one?
(7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one has a molecular weight of 310.32 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-7-ethyl-8-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one is sourced from PubChem (CID 10470625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).