N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide

C22H23N3O4 — CID 122192937

IUPACN-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide
SMILESCOc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(C)ccc3c2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-14-5-10-19-20(13-14)23-21(11-12-24(15(2)26)16(3)27)25(22(19)28)17-6-8-18(29-4)9-7-17/h5-10,13H,11-12H2,1-4H3
InChIKeyIEJPVEWITHTUGT-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.64
Rot. Bonds5

About N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide

N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide (PubChem CID 122192937) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide
PubChem CID122192937
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide
SMILESCOc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(C)ccc3c2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-14-5-10-19-20(13-14)23-21(11-12-24(15(2)26)16(3)27)25(22(19)28)17-6-8-18(29-4)9-7-17/h5-10,13H,11-12H2,1-4H3
InChIKeyIEJPVEWITHTUGT-UHFFFAOYSA-N
XLogP2.64
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide 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 N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide?
The IUPAC name of N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide (CID 122192937) is N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide?
The canonical SMILES for N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide is COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(C)ccc3c2=O)cc1.
What is the InChIKey of N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide?
The InChIKey is IEJPVEWITHTUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-5-10-19-20(13-14)23-21(11-12-24(15(2)26)16(3)27)25(22(19)28)17-6-8-18(29-4)9-7-17/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide?
N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]ethyl]acetamide is sourced from PubChem (CID 122192937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).