4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol

C15H12N4O3 — CID 67459187

IUPAC4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol
SMILESNc1ccc([N+](=O)[O-])c(N)c1-c1ccnc2c(O)cccc12
InChIInChI=1S/C15H12N4O3/c16-10-4-5-11(19(21)22)14(17)13(10)8-6-7-18-15-9(8)2-1-3-12(15)20/h1-7,20H,16-17H2
InChIKeyUQJUJALGQVTABT-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.68
Rot. Bonds2

About 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol

4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol (PubChem CID 67459187) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol.

Molecular Properties

Compound Name4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol
PubChem CID67459187
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol
SMILESNc1ccc([N+](=O)[O-])c(N)c1-c1ccnc2c(O)cccc12
InChIInChI=1S/C15H12N4O3/c16-10-4-5-11(19(21)22)14(17)13(10)8-6-7-18-15-9(8)2-1-3-12(15)20/h1-7,20H,16-17H2
InChIKeyUQJUJALGQVTABT-UHFFFAOYSA-N
XLogP2.68
TPSA128.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

aniline;5-nitroquinolin-8-ol
CID 90427564
7-nitroquinolin-8-amine
CID 12663942
7-nitro-4-phenylquinolin-8-ol
CID 166150148
benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride
CID 51353266
bis(4,7-diphenyl-1,10-phenanthroline);4-nitrobenzene-1,2-diol;ruthenium
CID 155727866
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
ethyl 2-[2,5-dimethyl-3-(8-nitroquinolin-4-yl)indol-1-yl]acetate
CID 86600927
2,4-dinitropyridin-3-amine
CID 19034991
7-bromo-5-nitroquinolin-8-ol
CID 14125599
4-fluoro-7-nitroquinolin-8-ol
CID 166150161
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol?
The IUPAC name of 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol (CID 67459187) is 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol.
What is the SMILES notation for 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol?
The canonical SMILES for 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol is Nc1ccc([N+](=O)[O-])c(N)c1-c1ccnc2c(O)cccc12.
What is the InChIKey of 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol?
The InChIKey is UQJUJALGQVTABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c16-10-4-5-11(19(21)22)14(17)13(10)8-6-7-18-15-9(8)2-1-3-12(15)20/h1-7,20H,16-17H2.
What are the key properties of 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol?
4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol has a molecular weight of 296.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol is sourced from PubChem (CID 67459187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).