4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol

C19H13N5O3 — CID 137206086

IUPAC4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol
SMILESO=[N+]([O-])c1ccc(O)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C19H13N5O3/c25-17-6-5-13(24(26)27)11-16(17)22-19-14-3-1-2-4-15(14)21-18(23-19)12-7-9-20-10-8-12/h1-11,25H,(H,21,22,23)
InChIKeyIQJZBWJVBFXYMQ-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.05
Rot. Bonds4

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

4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol (PubChem CID 137206086) has the molecular formula C19H13N5O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol
PubChem CID137206086
Molecular FormulaC19H13N5O3
Molecular Weight359.35 g/mol
Exact Mass359.10
IUPAC Name4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol
SMILESO=[N+]([O-])c1ccc(O)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C19H13N5O3/c25-17-6-5-13(24(26)27)11-16(17)22-19-14-3-1-2-4-15(14)21-18(23-19)12-7-9-20-10-8-12/h1-11,25H,(H,21,22,23)
InChIKeyIQJZBWJVBFXYMQ-UHFFFAOYSA-N
XLogP4.05
TPSA114.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

N-(2-methoxy-5-nitrophenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2792400
ethyl 4-(2-hydroxy-5-nitroanilino)quinazoline-2-carboxylate
CID 3859104
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652
N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236
3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
CID 155524329
N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine
CID 22693180
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 24686061
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
N-(2-hydroxy-5-nitrophenyl)-4-oxo-3H-quinazoline-2-carbothioamide
CID 135722010
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418
2-(4-butylphenyl)-N-(4-nitrophenyl)quinazolin-4-amine
CID 23818931
iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 161196497

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol (CID 137206086) is 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol is O=[N+]([O-])c1ccc(O)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol?
The InChIKey is IQJZBWJVBFXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3/c25-17-6-5-13(24(26)27)11-16(17)22-19-14-3-1-2-4-15(14)21-18(23-19)12-7-9-20-10-8-12/h1-11,25H,(H,21,22,23).
What are the key properties of 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol?
4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol has a molecular weight of 359.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 137206086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).