1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine

C17H20N4 — CID 78943044

IUPAC1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)Cn2ccnc2)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-13-9-15(16-5-3-4-6-17(16)20-13)10-19-14(2)11-21-8-7-18-12-21/h3-9,12,14,19H,10-11H2,1-2H3
InChIKeySIZOBGMHLWMCML-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.92
Rot. Bonds5

About 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine (PubChem CID 78943044) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
PubChem CID78943044
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)Cn2ccnc2)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-13-9-15(16-5-3-4-6-17(16)20-13)10-19-14(2)11-21-8-7-18-12-21/h3-9,12,14,19H,10-11H2,1-2H3
InChIKeySIZOBGMHLWMCML-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
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
1-imidazol-1-yl-N-(quinoxalin-2-ylmethyl)propan-2-amine
CID 43791950
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
1-imidazol-1-yl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 82893599
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
N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 166268986
1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
CID 63000923
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine (CID 78943044) is 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine is Cc1cc(CNC(C)Cn2ccnc2)c2ccccc2n1.
What is the InChIKey of 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine?
The InChIKey is SIZOBGMHLWMCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-9-15(16-5-3-4-6-17(16)20-13)10-19-14(2)11-21-8-7-18-12-21/h3-9,12,14,19H,10-11H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-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 1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 78943044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).