N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide

C17H21F3N4O — CID 138490098

IUPACN-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cc2ccc(CNCCN(C)C)nc12
InChIInChI=1S/C17H21F3N4O/c1-11(25)22-15-9-13(17(18,19)20)8-12-4-5-14(23-16(12)15)10-21-6-7-24(2)3/h4-5,8-9,21H,6-7,10H2,1-3H3,(H,22,25)
InChIKeyQKLRRPMPZDZGIZ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide

N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide (PubChem CID 138490098) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide
PubChem CID138490098
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cc2ccc(CNCCN(C)C)nc12
InChIInChI=1S/C17H21F3N4O/c1-11(25)22-15-9-13(17(18,19)20)8-12-4-5-14(23-16(12)15)10-21-6-7-24(2)3/h4-5,8-9,21H,6-7,10H2,1-3H3,(H,22,25)
InChIKeyQKLRRPMPZDZGIZ-UHFFFAOYSA-N
XLogP2.86
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 10595963
tert-butyl-[2-[[2-(dimethylamino)ethylamino]methyl]-6-fluoroquinolin-8-yl]carbamic acid
CID 138490111
N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 138503346
N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 138503187
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[2-(dimethylamino)ethylamino]phenyl]prop-2-en-1-one
CID 87559291
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110
2-(ethylaminomethyl)-N-[4-(trifluoromethyl)phenyl]sulfanylquinolin-8-amine
CID 142609996
N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 148662887
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
CID 162253129
CID 162253129

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide?
The IUPAC name of N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide (CID 138490098) is N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide is CC(=O)Nc1cc(C(F)(F)F)cc2ccc(CNCCN(C)C)nc12.
What is the InChIKey of N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide?
The InChIKey is QKLRRPMPZDZGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-11(25)22-15-9-13(17(18,19)20)8-12-4-5-14(23-16(12)15)10-21-6-7-24(2)3/h4-5,8-9,21H,6-7,10H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide?
N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)ethylamino]methyl]-6-(trifluoromethyl)quinolin-8-yl]acetamide is sourced from PubChem (CID 138490098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).