(2-imidazol-1-ylquinolin-3-yl)methanamine

C13H12N4 — CID 28965406

IUPAC(2-imidazol-1-ylquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2nc1-n1ccnc1
InChIInChI=1S/C13H12N4/c14-8-11-7-10-3-1-2-4-12(10)16-13(11)17-6-5-15-9-17/h1-7,9H,8,14H2
InChIKeyRNCOASVKJUQIIV-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.88
Rot. Bonds2

About (2-imidazol-1-ylquinolin-3-yl)methanamine

(2-imidazol-1-ylquinolin-3-yl)methanamine (PubChem CID 28965406) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is (2-imidazol-1-ylquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(2-imidazol-1-ylquinolin-3-yl)methanamine
PubChem CID28965406
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name(2-imidazol-1-ylquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2nc1-n1ccnc1
InChIInChI=1S/C13H12N4/c14-8-11-7-10-3-1-2-4-12(10)16-13(11)17-6-5-15-9-17/h1-7,9H,8,14H2
InChIKeyRNCOASVKJUQIIV-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-imidazol-1-ylquinolin-3-yl)propan-2-amine
CID 55235840
N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43282124
N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide
CID 77025110
(2-indazol-1-ylquinolin-3-yl)methanamine
CID 62140579
2-(2-pyrazol-1-ylquinolin-3-yl)ethanamine
CID 55235653
[3-(imidazol-1-ylmethyl)quinolin-2-yl]hydrazine
CID 62244078
3-(3-imidazol-1-ylpropyl)quinolin-2-amine
CID 67942243
[3-(aminomethyl)quinolin-2-yl]methanol
CID 25170623
2-imidazol-1-ylquinoline
CID 24766159
(2-chloroquinolin-3-yl)methanamine
CID 71748539
1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone
CID 28965186
[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
CID 61410857

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-ylquinolin-3-yl)methanamine?
The IUPAC name of (2-imidazol-1-ylquinolin-3-yl)methanamine (CID 28965406) is (2-imidazol-1-ylquinolin-3-yl)methanamine.
What is the SMILES notation for (2-imidazol-1-ylquinolin-3-yl)methanamine?
The canonical SMILES for (2-imidazol-1-ylquinolin-3-yl)methanamine is NCc1cc2ccccc2nc1-n1ccnc1.
What is the InChIKey of (2-imidazol-1-ylquinolin-3-yl)methanamine?
The InChIKey is RNCOASVKJUQIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-8-11-7-10-3-1-2-4-12(10)16-13(11)17-6-5-15-9-17/h1-7,9H,8,14H2.
What are the key properties of (2-imidazol-1-ylquinolin-3-yl)methanamine?
(2-imidazol-1-ylquinolin-3-yl)methanamine has a molecular weight of 224.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-ylquinolin-3-yl)methanamine is sourced from PubChem (CID 28965406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).