3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one

C22H15N3O4 — CID 5345972

IUPAC3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1O
InChIInChI=1S/C22H15N3O4/c26-20-8-4-3-7-19(20)24-21(23-18-6-2-1-5-17(18)22(24)27)14-11-15-9-12-16(13-10-15)25(28)29/h1-14,26H/b14-11+
InChIKeyVJMQVSYPSNIZGQ-SDNWHVSQSA-N
MW385.38 g/mol
LogP4.17
Rot. Bonds4

About 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one

3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one (PubChem CID 5345972) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
PubChem CID5345972
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1O
InChIInChI=1S/C22H15N3O4/c26-20-8-4-3-7-19(20)24-21(23-18-6-2-1-5-17(18)22(24)27)14-11-15-9-12-16(13-10-15)25(28)29/h1-14,26H/b14-11+
InChIKeyVJMQVSYPSNIZGQ-SDNWHVSQSA-N
XLogP4.17
TPSA98.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one (CID 5345972) is 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one?
The InChIKey is VJMQVSYPSNIZGQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H15N3O4/c26-20-8-4-3-7-19(20)24-21(23-18-6-2-1-5-17(18)22(24)27)14-11-15-9-12-16(13-10-15)25(28)29/h1-14,26H/b14-11+.
What are the key properties of 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one?
3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one has a molecular weight of 385.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 5345972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).