3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine

C14H14N4 — CID 62209706

IUPAC3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine
SMILESCc1nccn1Cc1cc2ccccc2nc1N
InChIInChI=1S/C14H14N4/c1-10-16-6-7-18(10)9-12-8-11-4-2-3-5-13(11)17-14(12)15/h2-8H,9H2,1H3,(H2,15,17)
InChIKeyFEBKXOHACODPJK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.37
Rot. Bonds2

About 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine

3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine (PubChem CID 62209706) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine
PubChem CID62209706
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine
SMILESCc1nccn1Cc1cc2ccccc2nc1N
InChIInChI=1S/C14H14N4/c1-10-16-6-7-18(10)9-12-8-11-4-2-3-5-13(11)17-14(12)15/h2-8H,9H2,1H3,(H2,15,17)
InChIKeyFEBKXOHACODPJK-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine?
The IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine (CID 62209706) is 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine?
The canonical SMILES for 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine is Cc1nccn1Cc1cc2ccccc2nc1N.
What is the InChIKey of 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine?
The InChIKey is FEBKXOHACODPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-16-6-7-18(10)9-12-8-11-4-2-3-5-13(11)17-14(12)15/h2-8H,9H2,1H3,(H2,15,17).
What are the key properties of 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine?
3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 62209706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).