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2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide

C26H24N4O4 — CID 50763194

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3)c2=O)cc1
InChIInChI=1S/C26H24N4O4/c1-27-23(31)15-18-11-13-20(14-12-18)30-25(33)21-9-5-6-10-22(21)29(26(30)34)17-24(32)28-16-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyVITURXLWNMTYGA-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.76
Rot. Bonds7

About 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide

2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide (PubChem CID 50763194) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
PubChem CID50763194
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3)c2=O)cc1
InChIInChI=1S/C26H24N4O4/c1-27-23(31)15-18-11-13-20(14-12-18)30-25(33)21-9-5-6-10-22(21)29(26(30)34)17-24(32)28-16-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyVITURXLWNMTYGA-UHFFFAOYSA-N
XLogP1.76
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide (CID 50763194) is 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The InChIKey is VITURXLWNMTYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-27-23(31)15-18-11-13-20(14-12-18)30-25(33)21-9-5-6-10-22(21)29(26(30)34)17-24(32)28-16-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide has a molecular weight of 456.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 50763194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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