N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide

C23H19Cl2N5O3 — CID 71763537

IUPACN-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide
SMILESO=C(CNNc1ccccc1)Nn1c(COc2ccc(Cl)cc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C23H19Cl2N5O3/c24-15-10-11-20(18(25)12-15)33-14-21-27-19-9-5-4-8-17(19)23(32)30(21)29-22(31)13-26-28-16-6-2-1-3-7-16/h1-12,26,28H,13-14H2,(H,29,31)
InChIKeyUVYMZEYMGBKKGB-UHFFFAOYSA-N
MW484.34 g/mol
LogP3.97
Rot. Bonds8

About N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide

N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide (PubChem CID 71763537) has the molecular formula C23H19Cl2N5O3 and a molecular weight of 484.34 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide
PubChem CID71763537
Molecular FormulaC23H19Cl2N5O3
Molecular Weight484.34 g/mol
Exact Mass483.09
IUPAC NameN-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide
SMILESO=C(CNNc1ccccc1)Nn1c(COc2ccc(Cl)cc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C23H19Cl2N5O3/c24-15-10-11-20(18(25)12-15)33-14-21-27-19-9-5-4-8-17(19)23(32)30(21)29-22(31)13-26-28-16-6-2-1-3-7-16/h1-12,26,28H,13-14H2,(H,29,31)
InChIKeyUVYMZEYMGBKKGB-UHFFFAOYSA-N
XLogP3.97
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.34
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide?
The IUPAC name of N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide (CID 71763537) is N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide is O=C(CNNc1ccccc1)Nn1c(COc2ccc(Cl)cc2Cl)nc2ccccc2c1=O.
What is the InChIKey of N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide?
The InChIKey is UVYMZEYMGBKKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O3/c24-15-10-11-20(18(25)12-15)33-14-21-27-19-9-5-4-8-17(19)23(32)30(21)29-22(31)13-26-28-16-6-2-1-3-7-16/h1-12,26,28H,13-14H2,(H,29,31).
What are the key properties of N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide?
N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide has a molecular weight of 484.34 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(2-phenylhydrazinyl)acetamide is sourced from PubChem (CID 71763537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).