3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine

C17H20N4 — CID 62351315

IUPAC3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine
SMILESCCNc1nc2ccccc2cc1Cn1cnc(C)c1C
InChIInChI=1S/C17H20N4/c1-4-18-17-15(10-21-11-19-12(2)13(21)3)9-14-7-5-6-8-16(14)20-17/h5-9,11H,4,10H2,1-3H3,(H,18,20)
InChIKeyHWQHNJKVPOPYHP-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.53
Rot. Bonds4

About 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine

3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine (PubChem CID 62351315) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine.

Molecular Properties

Compound Name3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine
PubChem CID62351315
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine
SMILESCCNc1nc2ccccc2cc1Cn1cnc(C)c1C
InChIInChI=1S/C17H20N4/c1-4-18-17-15(10-21-11-19-12(2)13(21)3)9-14-7-5-6-8-16(14)20-17/h5-9,11H,4,10H2,1-3H3,(H,18,20)
InChIKeyHWQHNJKVPOPYHP-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine?
The IUPAC name of 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine (CID 62351315) is 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine.
What is the SMILES notation for 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine?
The canonical SMILES for 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine is CCNc1nc2ccccc2cc1Cn1cnc(C)c1C.
What is the InChIKey of 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine?
The InChIKey is HWQHNJKVPOPYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-18-17-15(10-21-11-19-12(2)13(21)3)9-14-7-5-6-8-16(14)20-17/h5-9,11H,4,10H2,1-3H3,(H,18,20).
What are the key properties of 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine?
3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine has a molecular weight of 280.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine is sourced from PubChem (CID 62351315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).