3-isocyanoquinolin-2-amine

C10H7N3 — CID 155623369

IUPAC3-isocyanoquinolin-2-amine
SMILES[C-]#[N+]c1cc2ccccc2nc1N
InChIInChI=1S/C10H7N3/c1-12-9-6-7-4-2-3-5-8(7)13-10(9)11/h2-6H,(H2,11,13)
InChIKeyQAEJUUFDPWGUOZ-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.37
Rot. Bonds

About 3-isocyanoquinolin-2-amine

3-isocyanoquinolin-2-amine (PubChem CID 155623369) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-isocyanoquinolin-2-amine.

Molecular Properties

Compound Name3-isocyanoquinolin-2-amine
PubChem CID155623369
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name3-isocyanoquinolin-2-amine
SMILES[C-]#[N+]c1cc2ccccc2nc1N
InChIInChI=1S/C10H7N3/c1-12-9-6-7-4-2-3-5-8(7)13-10(9)11/h2-6H,(H2,11,13)
InChIKeyQAEJUUFDPWGUOZ-UHFFFAOYSA-N
XLogP2.37
TPSA43.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-isocyanoquinolin-2-amine?
The IUPAC name of 3-isocyanoquinolin-2-amine (CID 155623369) is 3-isocyanoquinolin-2-amine.
What is the SMILES notation for 3-isocyanoquinolin-2-amine?
The canonical SMILES for 3-isocyanoquinolin-2-amine is [C-]#[N+]c1cc2ccccc2nc1N.
What is the InChIKey of 3-isocyanoquinolin-2-amine?
The InChIKey is QAEJUUFDPWGUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-12-9-6-7-4-2-3-5-8(7)13-10(9)11/h2-6H,(H2,11,13).
What are the key properties of 3-isocyanoquinolin-2-amine?
3-isocyanoquinolin-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanoquinolin-2-amine is sourced from PubChem (CID 155623369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).