N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C17H20N4 — CID 78943040

IUPACN-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1cc(CNC(C)Cn2cccn2)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-13-10-15(16-6-3-4-7-17(16)20-13)11-18-14(2)12-21-9-5-8-19-21/h3-10,14,18H,11-12H2,1-2H3
InChIKeyFXCGCPHBQHDQHZ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.92
Rot. Bonds5

About N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 78943040) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID78943040
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1cc(CNC(C)Cn2cccn2)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-13-10-15(16-6-3-4-7-17(16)20-13)11-18-14(2)12-21-9-5-8-19-21/h3-10,14,18H,11-12H2,1-2H3
InChIKeyFXCGCPHBQHDQHZ-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 105378336
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78943042
6-methyl-2-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]pyridin-3-ol
CID 95275043
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 78943040) is N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is Cc1cc(CNC(C)Cn2cccn2)c2ccccc2n1.
What is the InChIKey of N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is FXCGCPHBQHDQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-10-15(16-6-3-4-7-17(16)20-13)11-18-14(2)12-21-9-5-8-19-21/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 78943040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).