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

C21H24BrN5O2 — CID 2870407

IUPAC2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
SMILESNNC(=O)CN1C(CN2CCOCC2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C21H24BrN5O2/c22-16-6-7-18-17(12-16)21(15-4-2-1-3-5-15)27(14-20(28)25-23)19(24-18)13-26-8-10-29-11-9-26/h1-7,12,21H,8-11,13-14,23H2,(H,25,28)
InChIKeyLUZRDNKIFQMWFR-UHFFFAOYSA-N
MW458.36 g/mol
LogP2.21
Rot. Bonds5

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

2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide (PubChem CID 2870407) has the molecular formula C21H24BrN5O2 and a molecular weight of 458.36 g/mol. Its IUPAC name is 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
PubChem CID2870407
Molecular FormulaC21H24BrN5O2
Molecular Weight458.36 g/mol
Exact Mass457.11
IUPAC Name2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
SMILESNNC(=O)CN1C(CN2CCOCC2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C21H24BrN5O2/c22-16-6-7-18-17(12-16)21(15-4-2-1-3-5-15)27(14-20(28)25-23)19(24-18)13-26-8-10-29-11-9-26/h1-7,12,21H,8-11,13-14,23H2,(H,25,28)
InChIKeyLUZRDNKIFQMWFR-UHFFFAOYSA-N
XLogP2.21
TPSA83.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The IUPAC name of 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide (CID 2870407) is 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide.
What is the SMILES notation for 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The canonical SMILES for 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide is NNC(=O)CN1C(CN2CCOCC2)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The InChIKey is LUZRDNKIFQMWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O2/c22-16-6-7-18-17(12-16)21(15-4-2-1-3-5-15)27(14-20(28)25-23)19(24-18)13-26-8-10-29-11-9-26/h1-7,12,21H,8-11,13-14,23H2,(H,25,28).
What are the key properties of 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide has a molecular weight of 458.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(morpholin-4-ylmethyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide is sourced from PubChem (CID 2870407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).