4-imidazol-1-yl-7-nitroquinolin-8-ol

C12H8N4O3 — CID 166150167

IUPAC4-imidazol-1-yl-7-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1ccc2c(-n3ccnc3)ccnc2c1O
InChIInChI=1S/C12H8N4O3/c17-12-10(16(18)19)2-1-8-9(3-4-14-11(8)12)15-6-5-13-7-15/h1-7,17H
InChIKeyCBQQGIBQKKYEOO-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.03
Rot. Bonds2

About 4-imidazol-1-yl-7-nitroquinolin-8-ol

4-imidazol-1-yl-7-nitroquinolin-8-ol (PubChem CID 166150167) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-imidazol-1-yl-7-nitroquinolin-8-ol.

Molecular Properties

Compound Name4-imidazol-1-yl-7-nitroquinolin-8-ol
PubChem CID166150167
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name4-imidazol-1-yl-7-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1ccc2c(-n3ccnc3)ccnc2c1O
InChIInChI=1S/C12H8N4O3/c17-12-10(16(18)19)2-1-8-9(3-4-14-11(8)12)15-6-5-13-7-15/h1-7,17H
InChIKeyCBQQGIBQKKYEOO-UHFFFAOYSA-N
XLogP2.03
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-7-nitroquinolin-8-ol
CID 166150251
8-imidazol-1-yl-5-nitroisoquinoline
CID 103143009
4-fluoro-7-nitroquinolin-8-ol
CID 166150161
4-(2-methylpiperidin-1-yl)-7-nitroquinolin-8-ol
CID 167216788
7-nitro-4-phenylquinolin-8-ol
CID 166150148
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
1-(3-iodo-4-nitrophenyl)imidazole
CID 47278183
6-imidazol-1-yl-3-nitropyridin-2-amine
CID 10512423
N-ethyl-3-imidazol-1-yl-4-nitrobenzamide
CID 82989026
5-imidazol-1-yl-2-nitrobenzamide
CID 19709767
1-[4-(3-imidazol-1-yl-4-nitrophenyl)piperazin-1-yl]ethanone
CID 118952426
6-imidazol-1-yl-7-nitroquinoxaline-2,3-dione;hydrochloride
CID 78393024

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-7-nitroquinolin-8-ol?
The IUPAC name of 4-imidazol-1-yl-7-nitroquinolin-8-ol (CID 166150167) is 4-imidazol-1-yl-7-nitroquinolin-8-ol.
What is the SMILES notation for 4-imidazol-1-yl-7-nitroquinolin-8-ol?
The canonical SMILES for 4-imidazol-1-yl-7-nitroquinolin-8-ol is O=[N+]([O-])c1ccc2c(-n3ccnc3)ccnc2c1O.
What is the InChIKey of 4-imidazol-1-yl-7-nitroquinolin-8-ol?
The InChIKey is CBQQGIBQKKYEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-12-10(16(18)19)2-1-8-9(3-4-14-11(8)12)15-6-5-13-7-15/h1-7,17H.
What are the key properties of 4-imidazol-1-yl-7-nitroquinolin-8-ol?
4-imidazol-1-yl-7-nitroquinolin-8-ol has a molecular weight of 256.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-7-nitroquinolin-8-ol is sourced from PubChem (CID 166150167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).