N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C17H20N4 — CID 105378336

IUPACN-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1ccc2cc(CNC(C)Cn3cccn3)ccc2n1
InChIInChI=1S/C17H20N4/c1-13-4-6-16-10-15(5-7-17(16)20-13)11-18-14(2)12-21-9-3-8-19-21/h3-10,14,18H,11-12H2,1-2H3
InChIKeyLKCUSQQWMCIGEN-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.92
Rot. Bonds5

About N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 105378336) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID105378336
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1ccc2cc(CNC(C)Cn3cccn3)ccc2n1
InChIInChI=1S/C17H20N4/c1-13-4-6-16-10-15(5-7-17(16)20-13)11-18-14(2)12-21-9-3-8-19-21/h3-10,14,18H,11-12H2,1-2H3
InChIKeyLKCUSQQWMCIGEN-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

N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
CID 105378632
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
6-methyl-2-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]pyridin-3-ol
CID 95275043
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
3-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 43435005
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378594
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 62095637

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 105378336) is N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is Cc1ccc2cc(CNC(C)Cn3cccn3)ccc2n1.
What is the InChIKey of N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is LKCUSQQWMCIGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-4-6-16-10-15(5-7-17(16)20-13)11-18-14(2)12-21-9-3-8-19-21/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(2-methylquinolin-6-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-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 105378336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).