8-aminoquinoline-3-carbonitrile

C10H7N3 — CID 131425885

IUPAC8-aminoquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(N)cccc2c1
InChIInChI=1S/C10H7N3/c11-5-7-4-8-2-1-3-9(12)10(8)13-6-7/h1-4,6H,12H2
InChIKeyQBTLYDRMGQQPRP-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.69
Rot. Bonds

About 8-aminoquinoline-3-carbonitrile

8-aminoquinoline-3-carbonitrile (PubChem CID 131425885) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 8-aminoquinoline-3-carbonitrile.

Molecular Properties

Compound Name8-aminoquinoline-3-carbonitrile
PubChem CID131425885
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name8-aminoquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(N)cccc2c1
InChIInChI=1S/C10H7N3/c11-5-7-4-8-2-1-3-9(12)10(8)13-6-7/h1-4,6H,12H2
InChIKeyQBTLYDRMGQQPRP-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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Frequently Asked Questions

What is the IUPAC name of 8-aminoquinoline-3-carbonitrile?
The IUPAC name of 8-aminoquinoline-3-carbonitrile (CID 131425885) is 8-aminoquinoline-3-carbonitrile.
What is the SMILES notation for 8-aminoquinoline-3-carbonitrile?
The canonical SMILES for 8-aminoquinoline-3-carbonitrile is N#Cc1cnc2c(N)cccc2c1.
What is the InChIKey of 8-aminoquinoline-3-carbonitrile?
The InChIKey is QBTLYDRMGQQPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-5-7-4-8-2-1-3-9(12)10(8)13-6-7/h1-4,6H,12H2.
What are the key properties of 8-aminoquinoline-3-carbonitrile?
8-aminoquinoline-3-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-3-carbonitrile is sourced from PubChem (CID 131425885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).