N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine

C19H24F3N3O — CID 135104380

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine
SMILESCOCCN1CCC(CN(C)c2ccnc3c(C(F)(F)F)cccc23)C1
InChIInChI=1S/C19H24F3N3O/c1-24(12-14-7-9-25(13-14)10-11-26-2)17-6-8-23-18-15(17)4-3-5-16(18)19(20,21)22/h3-6,8,14H,7,9-13H2,1-2H3
InChIKeyIGRXTULDUYBPOL-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.66
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine (PubChem CID 135104380) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine
PubChem CID135104380
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine
SMILESCOCCN1CCC(CN(C)c2ccnc3c(C(F)(F)F)cccc23)C1
InChIInChI=1S/C19H24F3N3O/c1-24(12-14-7-9-25(13-14)10-11-26-2)17-6-8-23-18-15(17)4-3-5-16(18)19(20,21)22/h3-6,8,14H,7,9-13H2,1-2H3
InChIKeyIGRXTULDUYBPOL-UHFFFAOYSA-N
XLogP3.66
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine
CID 97275895
N,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]quinolin-4-amine
CID 133389025
5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 97195093
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 134696870
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131930333
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide
CID 131916150
N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95590480
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828
4-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 86644667
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
CID 131937951
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-methylpyridine
CID 110269242

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine (CID 135104380) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine is COCCN1CCC(CN(C)c2ccnc3c(C(F)(F)F)cccc23)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine?
The InChIKey is IGRXTULDUYBPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-24(12-14-7-9-25(13-14)10-11-26-2)17-6-8-23-18-15(17)4-3-5-16(18)19(20,21)22/h3-6,8,14H,7,9-13H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine has a molecular weight of 367.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 135104380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).