2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide

C24H21N3O4 — CID 3599783

IUPAC2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)c1
InChIInChI=1S/C24H21N3O4/c1-31-19-6-4-5-17(13-19)15-25-22(28)14-16-9-11-18(12-10-16)27-23(29)20-7-2-3-8-21(20)26-24(27)30/h2-13H,14-15H2,1H3,(H,25,28)(H,26,30)
InChIKeyLOOGGMJXTADQPX-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.55
Rot. Bonds6

About 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 3599783) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID3599783
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)c1
InChIInChI=1S/C24H21N3O4/c1-31-19-6-4-5-17(13-19)15-25-22(28)14-16-9-11-18(12-10-16)27-23(29)20-7-2-3-8-21(20)26-24(27)30/h2-13H,14-15H2,1H3,(H,25,28)(H,26,30)
InChIKeyLOOGGMJXTADQPX-UHFFFAOYSA-N
XLogP2.55
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 3599783) is 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)c1.
What is the InChIKey of 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is LOOGGMJXTADQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-31-19-6-4-5-17(13-19)15-25-22(28)14-16-9-11-18(12-10-16)27-23(29)20-7-2-3-8-21(20)26-24(27)30/h2-13H,14-15H2,1H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3599783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).