8-aminoquinoline-7-carbonitrile

C10H7N3 — CID 13439027

IUPAC8-aminoquinoline-7-carbonitrile
SMILESN#Cc1ccc2cccnc2c1N
InChIInChI=1S/C10H7N3/c11-6-8-4-3-7-2-1-5-13-10(7)9(8)12/h1-5H,12H2
InChIKeyYOULIPXAYDHVEK-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.69
Rot. Bonds

About 8-aminoquinoline-7-carbonitrile

8-aminoquinoline-7-carbonitrile (PubChem CID 13439027) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 8-aminoquinoline-7-carbonitrile.

Molecular Properties

Compound Name8-aminoquinoline-7-carbonitrile
PubChem CID13439027
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name8-aminoquinoline-7-carbonitrile
SMILESN#Cc1ccc2cccnc2c1N
InChIInChI=1S/C10H7N3/c11-6-8-4-3-7-2-1-5-13-10(7)9(8)12/h1-5H,12H2
InChIKeyYOULIPXAYDHVEK-UHFFFAOYSA-N
XLogP1.69
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-ethynylquinoline-7-carbonitrile
CID 121226483
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
CID 139178820
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127

Frequently Asked Questions

What is the IUPAC name of 8-aminoquinoline-7-carbonitrile?
The IUPAC name of 8-aminoquinoline-7-carbonitrile (CID 13439027) is 8-aminoquinoline-7-carbonitrile.
What is the SMILES notation for 8-aminoquinoline-7-carbonitrile?
The canonical SMILES for 8-aminoquinoline-7-carbonitrile is N#Cc1ccc2cccnc2c1N.
What is the InChIKey of 8-aminoquinoline-7-carbonitrile?
The InChIKey is YOULIPXAYDHVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-6-8-4-3-7-2-1-5-13-10(7)9(8)12/h1-5H,12H2.
What are the key properties of 8-aminoquinoline-7-carbonitrile?
8-aminoquinoline-7-carbonitrile has a molecular weight of 169.19 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoquinoline-7-carbonitrile is sourced from PubChem (CID 13439027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).