4-[(5,7-dinitroquinolin-8-yl)amino]phenol

C15H10N4O5 — CID 5030546

IUPAC4-[(5,7-dinitroquinolin-8-yl)amino]phenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1ccc(O)cc1
InChIInChI=1S/C15H10N4O5/c20-10-5-3-9(4-6-10)17-15-13(19(23)24)8-12(18(21)22)11-2-1-7-16-14(11)15/h1-8,17,20H
InChIKeyVXHWSSFVSIVVNJ-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.50
Rot. Bonds4

About 4-[(5,7-dinitroquinolin-8-yl)amino]phenol

4-[(5,7-dinitroquinolin-8-yl)amino]phenol (PubChem CID 5030546) has the molecular formula C15H10N4O5 and a molecular weight of 326.27 g/mol. Its IUPAC name is 4-[(5,7-dinitroquinolin-8-yl)amino]phenol.

Molecular Properties

Compound Name4-[(5,7-dinitroquinolin-8-yl)amino]phenol
PubChem CID5030546
Molecular FormulaC15H10N4O5
Molecular Weight326.27 g/mol
Exact Mass326.07
IUPAC Name4-[(5,7-dinitroquinolin-8-yl)amino]phenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1ccc(O)cc1
InChIInChI=1S/C15H10N4O5/c20-10-5-3-9(4-6-10)17-15-13(19(23)24)8-12(18(21)22)11-2-1-7-16-14(11)15/h1-8,17,20H
InChIKeyVXHWSSFVSIVVNJ-UHFFFAOYSA-N
XLogP3.50
TPSA131.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-dinitroquinolin-8-yl)amino]phenol?
The IUPAC name of 4-[(5,7-dinitroquinolin-8-yl)amino]phenol (CID 5030546) is 4-[(5,7-dinitroquinolin-8-yl)amino]phenol.
What is the SMILES notation for 4-[(5,7-dinitroquinolin-8-yl)amino]phenol?
The canonical SMILES for 4-[(5,7-dinitroquinolin-8-yl)amino]phenol is O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1ccc(O)cc1.
What is the InChIKey of 4-[(5,7-dinitroquinolin-8-yl)amino]phenol?
The InChIKey is VXHWSSFVSIVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O5/c20-10-5-3-9(4-6-10)17-15-13(19(23)24)8-12(18(21)22)11-2-1-7-16-14(11)15/h1-8,17,20H.
What are the key properties of 4-[(5,7-dinitroquinolin-8-yl)amino]phenol?
4-[(5,7-dinitroquinolin-8-yl)amino]phenol has a molecular weight of 326.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-dinitroquinolin-8-yl)amino]phenol is sourced from PubChem (CID 5030546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).