2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol

C20H14N4O3 — CID 132547158

IUPAC2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol
SMILESO=[N+]([O-])c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1O
InChIInChI=1S/C20H14N4O3/c25-18-11-10-14(12-17(18)24(26)27)21-20-15-8-4-5-9-16(15)22-19(23-20)13-6-2-1-3-7-13/h1-12,25H,(H,21,22,23)
InChIKeyHUILBFJFGUWXGF-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.65
Rot. Bonds4

About 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol

2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol (PubChem CID 132547158) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol
PubChem CID132547158
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol
SMILESO=[N+]([O-])c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1O
InChIInChI=1S/C20H14N4O3/c25-18-11-10-14(12-17(18)24(26)27)21-20-15-8-4-5-9-16(15)22-19(23-20)13-6-2-1-3-7-13/h1-12,25H,(H,21,22,23)
InChIKeyHUILBFJFGUWXGF-UHFFFAOYSA-N
XLogP4.65
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol?
The IUPAC name of 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol (CID 132547158) is 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol is O=[N+]([O-])c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1O.
What is the InChIKey of 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol?
The InChIKey is HUILBFJFGUWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-18-11-10-14(12-17(18)24(26)27)21-20-15-8-4-5-9-16(15)22-19(23-20)13-6-2-1-3-7-13/h1-12,25H,(H,21,22,23).
What are the key properties of 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol?
2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol has a molecular weight of 358.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[(2-phenylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 132547158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).