2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one

C18H21F3N2O — CID 10520975

IUPAC2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one
SMILESCC1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC(C)(C)C1(C)C
InChIInChI=1S/C18H21F3N2O/c1-9-10-6-11-12(18(19,20)21)7-15(24)22-13(11)8-14(10)23-17(4,5)16(9,2)3/h6-9,23H,1-5H3,(H,22,24)
InChIKeyRJAYIUMTPVLORX-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.88
Rot. Bonds

About 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one

2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one (PubChem CID 10520975) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one
PubChem CID10520975
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one
SMILESCC1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC(C)(C)C1(C)C
InChIInChI=1S/C18H21F3N2O/c1-9-10-6-11-12(18(19,20)21)7-15(24)22-13(11)8-14(10)23-17(4,5)16(9,2)3/h6-9,23H,1-5H3,(H,22,24)
InChIKeyRJAYIUMTPVLORX-UHFFFAOYSA-N
XLogP4.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[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-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-[(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
7-Amino-6-(butan-2-yl)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279130
6-Ethyl-7-[(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279155

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one?
The IUPAC name of 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one (CID 10520975) is 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one is CC1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one?
The InChIKey is RJAYIUMTPVLORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-9-10-6-11-12(18(19,20)21)7-15(24)22-13(11)8-14(10)23-17(4,5)16(9,2)3/h6-9,23H,1-5H3,(H,22,24).
What are the key properties of 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one?
2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one has a molecular weight of 338.37 g/mol, XLogP of 4.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethyl-6-(trifluoromethyl)-4,9-dihydro-1H-pyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 10520975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).