2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide

C26H25N3O4 — CID 27371130

IUPAC2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C26H25N3O4/c1-33-16-15-27-24(30)17-19-11-13-21(14-12-19)29-25(31)22-9-5-6-10-23(22)28(26(29)32)18-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H,27,30)
InChIKeyWALPODGZIPEMOJ-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.51
Rot. Bonds8

About 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide

2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide (PubChem CID 27371130) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide
PubChem CID27371130
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C26H25N3O4/c1-33-16-15-27-24(30)17-19-11-13-21(14-12-19)29-25(31)22-9-5-6-10-23(22)28(26(29)32)18-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H,27,30)
InChIKeyWALPODGZIPEMOJ-UHFFFAOYSA-N
XLogP2.51
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methoxyethyl)acetamide
CID 50762552
2-[4-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methoxyethyl)acetamide
CID 50762570
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-butylacetamide
CID 42585859
2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
CID 50762542
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763194
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763161
2-[4-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762522
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
CID 22429491
N-cyclohexyl-2-[4-[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762459
N-hydroxy-3-[4-[[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]prop-2-enamide
CID 175872723
2-[4-[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 12005191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide (CID 27371130) is 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is WALPODGZIPEMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-33-16-15-27-24(30)17-19-11-13-21(14-12-19)29-25(31)22-9-5-6-10-23(22)28(26(29)32)18-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H,27,30).
What are the key properties of 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide?
2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 443.50 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 27371130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).