2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one

C17H18N4O4 — CID 17221406

IUPAC2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1cc2nc(NN)n(-c3ccccc3OC)c(=O)c2cc1OC
InChIInChI=1S/C17H18N4O4/c1-23-13-7-5-4-6-12(13)21-16(22)10-8-14(24-2)15(25-3)9-11(10)19-17(21)20-18/h4-9H,18H2,1-3H3,(H,19,20)
InChIKeySOWYRSHIRKYWQA-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.70
Rot. Bonds5

About 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one

2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 17221406) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID17221406
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1cc2nc(NN)n(-c3ccccc3OC)c(=O)c2cc1OC
InChIInChI=1S/C17H18N4O4/c1-23-13-7-5-4-6-12(13)21-16(22)10-8-14(24-2)15(25-3)9-11(10)19-17(21)20-18/h4-9H,18H2,1-3H3,(H,19,20)
InChIKeySOWYRSHIRKYWQA-UHFFFAOYSA-N
XLogP1.70
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one 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

3-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylquinazolin-4-one
CID 123438581
6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 808669
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
6-hydroxy-3-(2-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261398
1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 12596963
3-amino-2-(2-methoxyphenyl)-7-nitro-4-phenylisoquinolin-1-one
CID 1423483
2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930
6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134146044
2-ethyl-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 101460145
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 92912522

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one (CID 17221406) is 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one is COc1cc2nc(NN)n(-c3ccccc3OC)c(=O)c2cc1OC.
What is the InChIKey of 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is SOWYRSHIRKYWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-23-13-7-5-4-6-12(13)21-16(22)10-8-14(24-2)15(25-3)9-11(10)19-17(21)20-18/h4-9H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one?
2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 342.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6,7-dimethoxy-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 17221406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).