7-(3-azidopropoxy)quinoline

C12H12N4O — CID 107314475

IUPAC7-(3-azidopropoxy)quinoline
SMILES[N-]=[N+]=NCCCOc1ccc2cccnc2c1
InChIInChI=1S/C12H12N4O/c13-16-15-7-2-8-17-11-5-4-10-3-1-6-14-12(10)9-11/h1,3-6,9H,2,7-8H2
InChIKeyBMPQQUHAVBOFAV-UHFFFAOYSA-N
MW228.26 g/mol
LogP3.31
Rot. Bonds5

About 7-(3-azidopropoxy)quinoline

7-(3-azidopropoxy)quinoline (PubChem CID 107314475) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 7-(3-azidopropoxy)quinoline.

Molecular Properties

Compound Name7-(3-azidopropoxy)quinoline
PubChem CID107314475
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name7-(3-azidopropoxy)quinoline
SMILES[N-]=[N+]=NCCCOc1ccc2cccnc2c1
InChIInChI=1S/C12H12N4O/c13-16-15-7-2-8-17-11-5-4-10-3-1-6-14-12(10)9-11/h1,3-6,9H,2,7-8H2
InChIKeyBMPQQUHAVBOFAV-UHFFFAOYSA-N
XLogP3.31
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-quinolin-7-yloxypropane-1-thiol
CID 107315768
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
3-quinolin-7-yloxypropanal
CID 107314214
8-(3-azidopropoxy)quinoline
CID 61396496
N-(3-quinolin-7-yloxypropyl)aniline
CID 107315213
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
3-naphthalen-2-yloxypropyl 3-azidopropane-1-sulfonate
CID 58260780
N-(4-quinolin-7-yloxybutyl)cyclopropanamine
CID 107314991
N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
CID 107314998
N-ethyl-6-quinolin-7-yloxyhexan-3-amine
CID 107313514
7-(2-bromoethoxy)quinoline;1,2-dibromoethane;quinolin-7-ol
CID 159602221
1-amino-2-methyl-6-quinolin-7-yloxyhexan-2-ol
CID 107315657

Frequently Asked Questions

What is the IUPAC name of 7-(3-azidopropoxy)quinoline?
The IUPAC name of 7-(3-azidopropoxy)quinoline (CID 107314475) is 7-(3-azidopropoxy)quinoline.
What is the SMILES notation for 7-(3-azidopropoxy)quinoline?
The canonical SMILES for 7-(3-azidopropoxy)quinoline is [N-]=[N+]=NCCCOc1ccc2cccnc2c1.
What is the InChIKey of 7-(3-azidopropoxy)quinoline?
The InChIKey is BMPQQUHAVBOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-16-15-7-2-8-17-11-5-4-10-3-1-6-14-12(10)9-11/h1,3-6,9H,2,7-8H2.
What are the key properties of 7-(3-azidopropoxy)quinoline?
7-(3-azidopropoxy)quinoline has a molecular weight of 228.26 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-azidopropoxy)quinoline is sourced from PubChem (CID 107314475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).