2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide

C24H22N3O5+ — CID 78577552

IUPAC2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nn2c(-c3ccc(OC)cc3)[nH+]c3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O5/c1-30-17-9-7-16(8-10-17)23-25-21-6-4-3-5-20(21)24(29)27(23)26-22(28)15-32-19-13-11-18(31-2)12-14-19/h3-14H,15H2,1-2H3,(H,26,28)/p+1
InChIKeyDZQMAGNTXHFFGV-UHFFFAOYSA-O
MW432.46 g/mol
LogP2.65
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide

2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide (PubChem CID 78577552) has the molecular formula C24H22N3O5+ and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide
PubChem CID78577552
Molecular FormulaC24H22N3O5+
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nn2c(-c3ccc(OC)cc3)[nH+]c3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O5/c1-30-17-9-7-16(8-10-17)23-25-21-6-4-3-5-20(21)24(29)27(23)26-22(28)15-32-19-13-11-18(31-2)12-14-19/h3-14H,15H2,1-2H3,(H,26,28)/p+1
InChIKeyDZQMAGNTXHFFGV-UHFFFAOYSA-O
XLogP2.65
TPSA92.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide 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-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 4048190
4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide
CID 78577592
N-[2-(4-methylphenyl)-4-oxoquinazolin-1-ium-3-yl]thiophene-2-carboxamide
CID 78577550
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide
CID 2025937
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7706771

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide (CID 78577552) is 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide is COc1ccc(OCC(=O)Nn2c(-c3ccc(OC)cc3)[nH+]c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide?
The InChIKey is DZQMAGNTXHFFGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H21N3O5/c1-30-17-9-7-16(8-10-17)23-25-21-6-4-3-5-20(21)24(29)27(23)26-22(28)15-32-19-13-11-18(31-2)12-14-19/h3-14H,15H2,1-2H3,(H,26,28)/p+1.
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide?
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide has a molecular weight of 432.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide is sourced from PubChem (CID 78577552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).