N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide

C24H23N3O4 — CID 4789683

IUPACN-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C24H23N3O4/c1-15(28)25-17-10-8-16(9-11-17)23-26-20-7-5-4-6-19(20)24(29)27(23)21-13-12-18(30-2)14-22(21)31-3/h4-14,23,26H,1-3H3,(H,25,28)
InChIKeyPNCWOMAPXUEQSR-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.43
Rot. Bonds5

About N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide

N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide (PubChem CID 4789683) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
PubChem CID4789683
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C24H23N3O4/c1-15(28)25-17-10-8-16(9-11-17)23-26-20-7-5-4-6-19(20)24(29)27(23)21-13-12-18(30-2)14-22(21)31-3/h4-14,23,26H,1-3H3,(H,25,28)
InChIKeyPNCWOMAPXUEQSR-UHFFFAOYSA-N
XLogP4.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide (CID 4789683) is N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide is COc1ccc(N2C(=O)c3ccccc3NC2c2ccc(NC(C)=O)cc2)c(OC)c1.
What is the InChIKey of N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The InChIKey is PNCWOMAPXUEQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15(28)25-17-10-8-16(9-11-17)23-26-20-7-5-4-6-19(20)24(29)27(23)21-13-12-18(30-2)14-22(21)31-3/h4-14,23,26H,1-3H3,(H,25,28).
What are the key properties of N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 4789683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).