4-azido-3-nitroquinoline

C9H5N5O2 — CID 112704025

IUPAC4-azido-3-nitroquinoline
SMILES[N-]=[N+]=Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C9H5N5O2/c10-13-12-9-6-3-1-2-4-7(6)11-5-8(9)14(15)16/h1-5H
InChIKeyBJVPBGYNTPQSSY-UHFFFAOYSA-N
MW215.17 g/mol
LogP3.08
Rot. Bonds2

About 4-azido-3-nitroquinoline

4-azido-3-nitroquinoline (PubChem CID 112704025) has the molecular formula C9H5N5O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-azido-3-nitroquinoline.

Molecular Properties

Compound Name4-azido-3-nitroquinoline
PubChem CID112704025
Molecular FormulaC9H5N5O2
Molecular Weight215.17 g/mol
Exact Mass215.04
IUPAC Name4-azido-3-nitroquinoline
SMILES[N-]=[N+]=Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C9H5N5O2/c10-13-12-9-6-3-1-2-4-7(6)11-5-8(9)14(15)16/h1-5H
InChIKeyBJVPBGYNTPQSSY-UHFFFAOYSA-N
XLogP3.08
TPSA104.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-azido-6-methoxy-3-nitroquinoline
CID 169448058
4-chloro-3-nitroquinoline;ethane
CID 90799881
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
3-nitroquinoline-4-carboxamide
CID 19034747
4-(2-bromophenoxy)-3-nitroquinoline
CID 103963836
2-methyl-1-(3-nitroquinolin-4-yl)propan-1-amine
CID 174742802
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
4-(3-nitroquinolin-4-yl)oxyaniline
CID 103964824
2-[(3-nitroquinolin-4-yl)amino]ethyl carbamate
CID 23019820
4-[[(3-nitroquinolin-4-yl)amino]methyl]phenol
CID 171398102
1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673427
3-(3-nitroquinolin-4-yl)sulfanylphenol
CID 104590990

Frequently Asked Questions

What is the IUPAC name of 4-azido-3-nitroquinoline?
The IUPAC name of 4-azido-3-nitroquinoline (CID 112704025) is 4-azido-3-nitroquinoline.
What is the SMILES notation for 4-azido-3-nitroquinoline?
The canonical SMILES for 4-azido-3-nitroquinoline is [N-]=[N+]=Nc1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of 4-azido-3-nitroquinoline?
The InChIKey is BJVPBGYNTPQSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O2/c10-13-12-9-6-3-1-2-4-7(6)11-5-8(9)14(15)16/h1-5H.
What are the key properties of 4-azido-3-nitroquinoline?
4-azido-3-nitroquinoline has a molecular weight of 215.17 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-3-nitroquinoline is sourced from PubChem (CID 112704025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).