4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile

C14H11N5 — CID 64531887

IUPAC4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1ncc[nH]1
InChIInChI=1S/C14H11N5/c15-7-10-8-18-12-4-2-1-3-11(12)14(10)19-9-13-16-5-6-17-13/h1-6,8H,9H2,(H,16,17)(H,18,19)
InChIKeyDGNHWFABHJMTFI-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.44
Rot. Bonds3

About 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile

4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile (PubChem CID 64531887) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile
PubChem CID64531887
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1ncc[nH]1
InChIInChI=1S/C14H11N5/c15-7-10-8-18-12-4-2-1-3-11(12)14(10)19-9-13-16-5-6-17-13/h1-6,8H,9H2,(H,16,17)(H,18,19)
InChIKeyDGNHWFABHJMTFI-UHFFFAOYSA-N
XLogP2.44
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile (CID 64531887) is 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NCc1ncc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile?
The InChIKey is DGNHWFABHJMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c15-7-10-8-18-12-4-2-1-3-11(12)14(10)19-9-13-16-5-6-17-13/h1-6,8H,9H2,(H,16,17)(H,18,19).
What are the key properties of 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile?
4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 64531887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).