N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine

C17H20N4 — CID 114755156

IUPACN-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-12-8-17(20-15-7-5-4-6-14(12)15)16(18-2)9-13-10-19-21(3)11-13/h4-8,10-11,16,18H,9H2,1-3H3
InChIKeyQOLYMUIWYCJLAU-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.78
Rot. Bonds4

About N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine

N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine (PubChem CID 114755156) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine
PubChem CID114755156
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-12-8-17(20-15-7-5-4-6-14(12)15)16(18-2)9-13-10-19-21(3)11-13/h4-8,10-11,16,18H,9H2,1-3H3
InChIKeyQOLYMUIWYCJLAU-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755199
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
CID 114857319
1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822011
N-methyl-2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356897
2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol
CID 55162724
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 63556140
N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 114755171
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine
CID 114755178

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine (CID 114755156) is N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine is CNC(Cc1cnn(C)c1)c1cc(C)c2ccccc2n1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine?
The InChIKey is QOLYMUIWYCJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-8-17(20-15-7-5-4-6-14(12)15)16(18-2)9-13-10-19-21(3)11-13/h4-8,10-11,16,18H,9H2,1-3H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine?
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine has a molecular weight of 280.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine is sourced from PubChem (CID 114755156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).