3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine

C16H18N4 — CID 63850210

IUPAC3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
SMILESc1ccc2c(CNCCCn3ccnc3)ccnc2c1
InChIInChI=1S/C16H18N4/c1-2-5-16-15(4-1)14(6-8-19-16)12-17-7-3-10-20-11-9-18-13-20/h1-2,4-6,8-9,11,13,17H,3,7,10,12H2
InChIKeyDSXAAQLJOUHDLE-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.61
Rot. Bonds6

About 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine (PubChem CID 63850210) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
PubChem CID63850210
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
SMILESc1ccc2c(CNCCCn3ccnc3)ccnc2c1
InChIInChI=1S/C16H18N4/c1-2-5-16-15(4-1)14(6-8-19-16)12-17-7-3-10-20-11-9-18-13-20/h1-2,4-6,8-9,11,13,17H,3,7,10,12H2
InChIKeyDSXAAQLJOUHDLE-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

3-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propan-1-amine
CID 59506750
4-imidazol-1-yl-N-(isoquinolin-4-ylmethyl)butan-1-amine
CID 115748322
N-[(5-chloroquinolin-8-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 115697270
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155511
N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 168665221
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 54848998
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]propan-1-amine;oxalic acid
CID 17052939
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine (CID 63850210) is 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine is c1ccc2c(CNCCCn3ccnc3)ccnc2c1.
What is the InChIKey of 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine?
The InChIKey is DSXAAQLJOUHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-5-16-15(4-1)14(6-8-19-16)12-17-7-3-10-20-11-9-18-13-20/h1-2,4-6,8-9,11,13,17H,3,7,10,12H2.
What are the key properties of 3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-(quinolin-4-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-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 63850210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).