3-(azidomethyl)-2-pentylquinoline

C15H18N4 — CID 174594811

IUPAC3-(azidomethyl)-2-pentylquinoline
SMILESCCCCCc1nc2ccccc2cc1CN=[N+]=[N-]
InChIInChI=1S/C15H18N4/c1-2-3-4-8-15-13(11-17-19-16)10-12-7-5-6-9-14(12)18-15/h5-7,9-10H,2-4,8,11H2,1H3
InChIKeyUSUBZNQIJJLLEV-UHFFFAOYSA-N
MW254.34 g/mol
LogP4.78
Rot. Bonds6

About 3-(azidomethyl)-2-pentylquinoline

3-(azidomethyl)-2-pentylquinoline (PubChem CID 174594811) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(azidomethyl)-2-pentylquinoline.

Molecular Properties

Compound Name3-(azidomethyl)-2-pentylquinoline
PubChem CID174594811
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(azidomethyl)-2-pentylquinoline
SMILESCCCCCc1nc2ccccc2cc1CN=[N+]=[N-]
InChIInChI=1S/C15H18N4/c1-2-3-4-8-15-13(11-17-19-16)10-12-7-5-6-9-14(12)18-15/h5-7,9-10H,2-4,8,11H2,1H3
InChIKeyUSUBZNQIJJLLEV-UHFFFAOYSA-N
XLogP4.78
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-pentylquinoline
CID 67913215
2-butyl-3-methylquinoline
CID 519104
3-octylquinolin-2-amine
CID 23131231
acridine;heptane
CID 158562494
2-(8-hexoxyoctyl)quinolin-3-amine
CID 175093877
2,3-dibutylquinoxaline
CID 14641798
1-octadecylacridine
CID 87175858
3-pentylquinoline-2-sulfonic acid
CID 175263844
1-hexadecylacridine;hydrochloride
CID 172754650
2-azido-3-(2-chloroethyl)quinoline
CID 95994762
3-hexylacridine
CID 21394642
3-azido-2-decoxyacridine
CID 151791607

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-2-pentylquinoline?
The IUPAC name of 3-(azidomethyl)-2-pentylquinoline (CID 174594811) is 3-(azidomethyl)-2-pentylquinoline.
What is the SMILES notation for 3-(azidomethyl)-2-pentylquinoline?
The canonical SMILES for 3-(azidomethyl)-2-pentylquinoline is CCCCCc1nc2ccccc2cc1CN=[N+]=[N-].
What is the InChIKey of 3-(azidomethyl)-2-pentylquinoline?
The InChIKey is USUBZNQIJJLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-3-4-8-15-13(11-17-19-16)10-12-7-5-6-9-14(12)18-15/h5-7,9-10H,2-4,8,11H2,1H3.
What are the key properties of 3-(azidomethyl)-2-pentylquinoline?
3-(azidomethyl)-2-pentylquinoline has a molecular weight of 254.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-2-pentylquinoline is sourced from PubChem (CID 174594811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).