2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one

C21H14N4O4 — CID 135573301

IUPAC2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C21H14N4O4/c26-18-8-4-1-5-14(18)9-11-20-23-17-7-3-2-6-16(17)21(27)24(20)19-12-10-15(13-22-19)25(28)29/h1-13,26H/b11-9+
InChIKeyZNLWHBHLCBYBDJ-PKNBQFBNSA-N
MW386.37 g/mol
LogP3.56
Rot. Bonds4

About 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one

2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one (PubChem CID 135573301) has the molecular formula C21H14N4O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one
PubChem CID135573301
Molecular FormulaC21H14N4O4
Molecular Weight386.37 g/mol
Exact Mass386.10
IUPAC Name2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C21H14N4O4/c26-18-8-4-1-5-14(18)9-11-20-23-17-7-3-2-6-16(17)21(27)24(20)19-12-10-15(13-22-19)25(28)29/h1-13,26H/b11-9+
InChIKeyZNLWHBHLCBYBDJ-PKNBQFBNSA-N
XLogP3.56
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one
CID 6435970
2-[(E)-2-naphthalen-1-ylethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 5366941
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
CID 135451284
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 3628212
2-[2-(4-bromophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2829077
3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 15994969
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
3-(4-methylphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2870120
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2880252
3-(2-methoxyphenyl)-2-[(Z)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5345957

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one (CID 135573301) is 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one?
The InChIKey is ZNLWHBHLCBYBDJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H14N4O4/c26-18-8-4-1-5-14(18)9-11-20-23-17-7-3-2-6-16(17)21(27)24(20)19-12-10-15(13-22-19)25(28)29/h1-13,26H/b11-9+.
What are the key properties of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one?
2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one has a molecular weight of 386.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 135573301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).