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

C16H19F3N2O — CID 170587653

IUPAC6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCCc1c(C(F)(F)F)c2cc(CN(C)C)ccc2n(C)c1=O
InChIInChI=1S/C16H19F3N2O/c1-5-11-14(16(17,18)19)12-8-10(9-20(2)3)6-7-13(12)21(4)15(11)22/h6-8H,5,9H2,1-4H3
InChIKeyGPTPZXVSIHVCLK-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.18
Rot. Bonds3

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

6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one (PubChem CID 170587653) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one
PubChem CID170587653
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCCc1c(C(F)(F)F)c2cc(CN(C)C)ccc2n(C)c1=O
InChIInChI=1S/C16H19F3N2O/c1-5-11-14(16(17,18)19)12-8-10(9-20(2)3)6-7-13(12)21(4)15(11)22/h6-8H,5,9H2,1-4H3
InChIKeyGPTPZXVSIHVCLK-UHFFFAOYSA-N
XLogP3.18
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 23264168
6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
CID 170587482
6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 170588709
1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 158535131
6-[2-(dimethylamino)ethyl]-1-methyl-3-(4-methyl-2,3-dihydro-1H-inden-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 177027649
2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid
CID 84637675
[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635897
1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one
CID 177030400
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705
tert-butyl N-[[1-methyl-2-oxo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)quinolin-6-yl]methyl]carbamate
CID 177027513
N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide
CID 141208887
3-[5-[6-[2-(azetidin-1-yl)ethyl]-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]propanoic acid
CID 170588088

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one (CID 170587653) is 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one is CCc1c(C(F)(F)F)c2cc(CN(C)C)ccc2n(C)c1=O.
What is the InChIKey of 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is GPTPZXVSIHVCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-5-11-14(16(17,18)19)12-8-10(9-20(2)3)6-7-13(12)21(4)15(11)22/h6-8H,5,9H2,1-4H3.
What are the key properties of 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one?
6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 312.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 170587653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).