2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide

C24H24N4O2 — CID 3137629

IUPAC2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
SMILESCOc1ccc(C2=Nc3ccc(C)cc3C(c3ccccc3)N2CC(=O)NN)cc1
InChIInChI=1S/C24H24N4O2/c1-16-8-13-21-20(14-16)23(17-6-4-3-5-7-17)28(15-22(29)27-25)24(26-21)18-9-11-19(30-2)12-10-18/h3-14,23H,15,25H2,1-2H3,(H,27,29)
InChIKeyFJBVDRPYKFVTSD-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.48
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide

2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide (PubChem CID 3137629) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
PubChem CID3137629
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
SMILESCOc1ccc(C2=Nc3ccc(C)cc3C(c3ccccc3)N2CC(=O)NN)cc1
InChIInChI=1S/C24H24N4O2/c1-16-8-13-21-20(14-16)23(17-6-4-3-5-7-17)28(15-22(29)27-25)24(26-21)18-9-11-19(30-2)12-10-18/h3-14,23H,15,25H2,1-2H3,(H,27,29)
InChIKeyFJBVDRPYKFVTSD-UHFFFAOYSA-N
XLogP3.48
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(4-methoxyphenyl)-6-methyl-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

Related Compounds

2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
CID 178090840
methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 3717703
methyl 3-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propanoate
CID 178090791
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
CID 178090894
3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090768
methyl 2-[(4S)-6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 2135935
ethyl 2-[(4S)-6-bromo-2-(3-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 99796160
methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 99802048
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
3-[6-bromo-2-[4-(2-methoxyethoxy)phenyl]-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090771
methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
CID 95789541
3-[6-bromo-2-(4-ethoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide (CID 3137629) is 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide is COc1ccc(C2=Nc3ccc(C)cc3C(c3ccccc3)N2CC(=O)NN)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
The InChIKey is FJBVDRPYKFVTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-8-13-21-20(14-16)23(17-6-4-3-5-7-17)28(15-22(29)27-25)24(26-21)18-9-11-19(30-2)12-10-18/h3-14,23H,15,25H2,1-2H3,(H,27,29).
What are the key properties of 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide?
2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide is sourced from PubChem (CID 3137629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).