2-pentylazirino[2,3-b]quinoline

C14H16N2 — CID 166938444

IUPAC2-pentylazirino[2,3-b]quinoline
SMILESCCCCCN1C2=NC2=Cc2ccccc21
InChIInChI=1S/C14H16N2/c1-2-3-6-9-16-13-8-5-4-7-11(13)10-12-14(16)15-12/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKeyBOIFOAWOEQULJM-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.45
Rot. Bonds4

About 2-pentylazirino[2,3-b]quinoline

2-pentylazirino[2,3-b]quinoline (PubChem CID 166938444) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-pentylazirino[2,3-b]quinoline.

Molecular Properties

Compound Name2-pentylazirino[2,3-b]quinoline
PubChem CID166938444
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-pentylazirino[2,3-b]quinoline
SMILESCCCCCN1C2=NC2=Cc2ccccc21
InChIInChI=1S/C14H16N2/c1-2-3-6-9-16-13-8-5-4-7-11(13)10-12-14(16)15-12/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKeyBOIFOAWOEQULJM-UHFFFAOYSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentylazirino[2,3-b]quinoline?
The IUPAC name of 2-pentylazirino[2,3-b]quinoline (CID 166938444) is 2-pentylazirino[2,3-b]quinoline.
What is the SMILES notation for 2-pentylazirino[2,3-b]quinoline?
The canonical SMILES for 2-pentylazirino[2,3-b]quinoline is CCCCCN1C2=NC2=Cc2ccccc21.
What is the InChIKey of 2-pentylazirino[2,3-b]quinoline?
The InChIKey is BOIFOAWOEQULJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-3-6-9-16-13-8-5-4-7-11(13)10-12-14(16)15-12/h4-5,7-8,10H,2-3,6,9H2,1H3.
What are the key properties of 2-pentylazirino[2,3-b]quinoline?
2-pentylazirino[2,3-b]quinoline has a molecular weight of 212.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylazirino[2,3-b]quinoline is sourced from PubChem (CID 166938444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).