2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide

C22H18BrClN4O — CID 3119178

IUPAC2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
SMILESNNC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C22H18BrClN4O/c23-16-8-11-19-18(12-16)21(14-4-2-1-3-5-14)28(13-20(29)27-25)22(26-19)15-6-9-17(24)10-7-15/h1-12,21H,13,25H2,(H,27,29)
InChIKeyNXCCQIIUISVAEO-UHFFFAOYSA-N
MW469.77 g/mol
LogP4.58
Rot. Bonds4

About 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide

2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide (PubChem CID 3119178) has the molecular formula C22H18BrClN4O and a molecular weight of 469.77 g/mol. Its IUPAC name is 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
PubChem CID3119178
Molecular FormulaC22H18BrClN4O
Molecular Weight469.77 g/mol
Exact Mass468.04
IUPAC Name2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
SMILESNNC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C22H18BrClN4O/c23-16-8-11-19-18(12-16)21(14-4-2-1-3-5-14)28(13-20(29)27-25)22(26-19)15-6-9-17(24)10-7-15/h1-12,21H,13,25H2,(H,27,29)
InChIKeyNXCCQIIUISVAEO-UHFFFAOYSA-N
XLogP4.58
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.77
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The IUPAC name of 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide (CID 3119178) is 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide.
What is the SMILES notation for 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The canonical SMILES for 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide is NNC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The InChIKey is NXCCQIIUISVAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN4O/c23-16-8-11-19-18(12-16)21(14-4-2-1-3-5-14)28(13-20(29)27-25)22(26-19)15-6-9-17(24)10-7-15/h1-12,21H,13,25H2,(H,27,29).
What are the key properties of 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide has a molecular weight of 469.77 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide is sourced from PubChem (CID 3119178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).