3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine

C16H18N4 — CID 60657424

IUPAC3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESc1cnc2ccc(CNCCCn3ccnc3)cc2c1
InChIInChI=1S/C16H18N4/c1-3-15-11-14(4-5-16(15)19-7-1)12-17-6-2-9-20-10-8-18-13-20/h1,3-5,7-8,10-11,13,17H,2,6,9,12H2
InChIKeyKCFXPFUQYLKZCC-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.61
Rot. Bonds6

About 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine (PubChem CID 60657424) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
PubChem CID60657424
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESc1cnc2ccc(CNCCCn3ccnc3)cc2c1
InChIInChI=1S/C16H18N4/c1-3-15-11-14(4-5-16(15)19-7-1)12-17-6-2-9-20-10-8-18-13-20/h1,3-5,7-8,10-11,13,17H,2,6,9,12H2
InChIKeyKCFXPFUQYLKZCC-UHFFFAOYSA-N
XLogP2.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
CID 61070929
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
N-[(4-bromo-3-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 81003217
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115639548
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
2-fluoro-5-[(4-imidazol-1-ylbutylamino)methyl]benzonitrile
CID 107880172
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine (CID 60657424) is 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine is c1cnc2ccc(CNCCCn3ccnc3)cc2c1.
What is the InChIKey of 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine?
The InChIKey is KCFXPFUQYLKZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-15-11-14(4-5-16(15)19-7-1)12-17-6-2-9-20-10-8-18-13-20/h1,3-5,7-8,10-11,13,17H,2,6,9,12H2.
What are the key properties of 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 60657424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).