3-[(6-nitroquinazolin-4-yl)amino]phenol

C14H10N4O3 — CID 7200288

IUPAC3-[(6-nitroquinazolin-4-yl)amino]phenol
SMILESO=[N+]([O-])c1ccc2ncnc(Nc3cccc(O)c3)c2c1
InChIInChI=1S/C14H10N4O3/c19-11-3-1-2-9(6-11)17-14-12-7-10(18(20)21)4-5-13(12)15-8-16-14/h1-8,19H,(H,15,16,17)
InChIKeyQYOFFVCXTNNNKJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.99
Rot. Bonds3

About 3-[(6-nitroquinazolin-4-yl)amino]phenol

3-[(6-nitroquinazolin-4-yl)amino]phenol (PubChem CID 7200288) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[(6-nitroquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6-nitroquinazolin-4-yl)amino]phenol
PubChem CID7200288
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name3-[(6-nitroquinazolin-4-yl)amino]phenol
SMILESO=[N+]([O-])c1ccc2ncnc(Nc3cccc(O)c3)c2c1
InChIInChI=1S/C14H10N4O3/c19-11-3-1-2-9(6-11)17-14-12-7-10(18(20)21)4-5-13(12)15-8-16-14/h1-8,19H,(H,15,16,17)
InChIKeyQYOFFVCXTNNNKJ-UHFFFAOYSA-N
XLogP2.99
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
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

N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
CID 2789328
3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
CID 42641380
7-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 5328200
N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-nitrobenzamide
CID 71761875
2-[(6-methylquinazolin-4-yl)amino]-4-nitrophenol
CID 21002451
N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide
CID 71470924
2-(hydroxymethyl)-2-[(6-nitroquinazolin-4-yl)amino]propane-1,3-diol
CID 107849416
4-anilinoquinazolin-6-ol;ethane
CID 91520479
4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
CID 20982572

Frequently Asked Questions

What is the IUPAC name of 3-[(6-nitroquinazolin-4-yl)amino]phenol?
The IUPAC name of 3-[(6-nitroquinazolin-4-yl)amino]phenol (CID 7200288) is 3-[(6-nitroquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(6-nitroquinazolin-4-yl)amino]phenol?
The canonical SMILES for 3-[(6-nitroquinazolin-4-yl)amino]phenol is O=[N+]([O-])c1ccc2ncnc(Nc3cccc(O)c3)c2c1.
What is the InChIKey of 3-[(6-nitroquinazolin-4-yl)amino]phenol?
The InChIKey is QYOFFVCXTNNNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-11-3-1-2-9(6-11)17-14-12-7-10(18(20)21)4-5-13(12)15-8-16-14/h1-8,19H,(H,15,16,17).
What are the key properties of 3-[(6-nitroquinazolin-4-yl)amino]phenol?
3-[(6-nitroquinazolin-4-yl)amino]phenol has a molecular weight of 282.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-nitroquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 7200288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).