2-(1-azidoethyl)quinoline

C11H10N4 — CID 126509535

IUPAC2-(1-azidoethyl)quinoline
SMILESCC(N=[N+]=[N-])c1ccc2ccccc2n1
InChIInChI=1S/C11H10N4/c1-8(14-15-12)10-7-6-9-4-2-3-5-11(9)13-10/h2-8H,1H3
InChIKeyJOETYUVPTWDUFQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.61
Rot. Bonds2

About 2-(1-azidoethyl)quinoline

2-(1-azidoethyl)quinoline (PubChem CID 126509535) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(1-azidoethyl)quinoline.

Molecular Properties

Compound Name2-(1-azidoethyl)quinoline
PubChem CID126509535
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-(1-azidoethyl)quinoline
SMILESCC(N=[N+]=[N-])c1ccc2ccccc2n1
InChIInChI=1S/C11H10N4/c1-8(14-15-12)10-7-6-9-4-2-3-5-11(9)13-10/h2-8H,1H3
InChIKeyJOETYUVPTWDUFQ-UHFFFAOYSA-N
XLogP3.61
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

methane;2-propan-2-ylquinoline
CID 161334581
ethane;2-propan-2-ylquinoline
CID 142538504
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
2-(1-chloroethyl)quinoline
CID 14750485
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
3-methyl-1-quinolin-2-ylpentan-1-amine
CID 63222429
2-diethylsulfonio-1-quinolin-2-ylpropan-1-olate
CID 10039086
N-ethyl-2-quinolin-2-ylpentan-3-amine
CID 63560957
amino(quinolin-2-yl)methanol
CID 154237779
2-(1-deuterio-1-phenylpropyl)quinoline
CID 175702905

Frequently Asked Questions

What is the IUPAC name of 2-(1-azidoethyl)quinoline?
The IUPAC name of 2-(1-azidoethyl)quinoline (CID 126509535) is 2-(1-azidoethyl)quinoline.
What is the SMILES notation for 2-(1-azidoethyl)quinoline?
The canonical SMILES for 2-(1-azidoethyl)quinoline is CC(N=[N+]=[N-])c1ccc2ccccc2n1.
What is the InChIKey of 2-(1-azidoethyl)quinoline?
The InChIKey is JOETYUVPTWDUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8(14-15-12)10-7-6-9-4-2-3-5-11(9)13-10/h2-8H,1H3.
What are the key properties of 2-(1-azidoethyl)quinoline?
2-(1-azidoethyl)quinoline has a molecular weight of 198.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azidoethyl)quinoline is sourced from PubChem (CID 126509535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).