N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide

C21H16BrN3O3 — CID 4258553

IUPACN-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
SMILESO=C(NN1C(=O)c2ccccc2NC1c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C21H16BrN3O3/c22-14-10-11-18(26)16(12-14)19-23-17-9-5-4-8-15(17)21(28)25(19)24-20(27)13-6-2-1-3-7-13/h1-12,19,23,26H,(H,24,27)
InChIKeyOJNVRZAMQFOENJ-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.07
Rot. Bonds3

About N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide

N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide (PubChem CID 4258553) has the molecular formula C21H16BrN3O3 and a molecular weight of 438.28 g/mol. Its IUPAC name is N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
PubChem CID4258553
Molecular FormulaC21H16BrN3O3
Molecular Weight438.28 g/mol
Exact Mass437.04
IUPAC NameN-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
SMILESO=C(NN1C(=O)c2ccccc2NC1c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C21H16BrN3O3/c22-14-10-11-18(26)16(12-14)19-23-17-9-5-4-8-15(17)21(28)25(19)24-20(27)13-6-2-1-3-7-13/h1-12,19,23,26H,(H,24,27)
InChIKeyOJNVRZAMQFOENJ-UHFFFAOYSA-N
XLogP4.07
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The IUPAC name of N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide (CID 4258553) is N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide.
What is the SMILES notation for N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The canonical SMILES for N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide is O=C(NN1C(=O)c2ccccc2NC1c1cc(Br)ccc1O)c1ccccc1.
What is the InChIKey of N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The InChIKey is OJNVRZAMQFOENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O3/c22-14-10-11-18(26)16(12-14)19-23-17-9-5-4-8-15(17)21(28)25(19)24-20(27)13-6-2-1-3-7-13/h1-12,19,23,26H,(H,24,27).
What are the key properties of N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide has a molecular weight of 438.28 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide is sourced from PubChem (CID 4258553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).