6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one

C26H25F3N2O — CID 170588709

IUPAC6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
SMILESCc1cccc2c(-c3c(C(F)(F)F)c4cc(CCN(C)C)ccc4n(C)c3=O)cccc12
InChIInChI=1S/C26H25F3N2O/c1-16-7-5-9-19-18(16)8-6-10-20(19)23-24(26(27,28)29)21-15-17(13-14-30(2)3)11-12-22(21)31(4)25(23)32/h5-12,15H,13-14H2,1-4H3
InChIKeyOCZULCLGWQOSHS-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.79
Rot. Bonds4

About 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one

6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one (PubChem CID 170588709) has the molecular formula C26H25F3N2O and a molecular weight of 438.49 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
PubChem CID170588709
Molecular FormulaC26H25F3N2O
Molecular Weight438.49 g/mol
Exact Mass438.19
IUPAC Name6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
SMILESCc1cccc2c(-c3c(C(F)(F)F)c4cc(CCN(C)C)ccc4n(C)c3=O)cccc12
InChIInChI=1S/C26H25F3N2O/c1-16-7-5-9-19-18(16)8-6-10-20(19)23-24(26(27,28)29)21-15-17(13-14-30(2)3)11-12-22(21)31(4)25(23)32/h5-12,15H,13-14H2,1-4H3
InChIKeyOCZULCLGWQOSHS-UHFFFAOYSA-N
XLogP5.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(dimethylamino)ethyl]-1-methyl-3-(4-methyl-2,3-dihydro-1H-inden-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 177027649
4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane
CID 170588454
3-[5-[6-[2-(azetidin-1-yl)ethyl]-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]propanoic acid
CID 170588088
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[6-[2-(dimethylamino)ethyl]-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]propanoic acid
CID 170587598
methyl 2-(2,2-dimethylpropanoylamino)acetate;1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 170587752
6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170587653
(2S)-3-[5-[6-[2-(azetidin-1-yl)ethyl]-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]-2-[(2,6-difluorobenzoyl)amino]propanoic acid
CID 177292023
6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
CID 170587482
methyl (2S)-3-[(1S)-1-[6-[2-(dimethylamino)ethyl]-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]-2,3-dihydro-1H-inden-4-yl]-2-[[1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carbonyl]amino]propanoate
CID 177027655
(E)-3-[2-(dimethylamino)-5-[2-(dimethylamino)ethyl]phenyl]-4,4,4-trifluoro-2-(5-methylnaphthalen-1-yl)but-2-enal
CID 170588777
1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one
CID 177030400
(2S)-2-[[2,6-difluoro-3-(3-methyl-2-pyridinyl)benzoyl]amino]-3-[5-[1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]propanoic acid
CID 170587532

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one (CID 170588709) is 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one is Cc1cccc2c(-c3c(C(F)(F)F)c4cc(CCN(C)C)ccc4n(C)c3=O)cccc12.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is OCZULCLGWQOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O/c1-16-7-5-9-19-18(16)8-6-10-20(19)23-24(26(27,28)29)21-15-17(13-14-30(2)3)11-12-22(21)31(4)25(23)32/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one?
6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 438.49 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 170588709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).