2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide

C26H25N3O5 — CID 15989492

IUPAC2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide
SMILESCOc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2cc1OC
InChIInChI=1S/C26H25N3O5/c1-33-22-15-20-21(16-23(22)34-2)29(17-24(30)27-19-11-7-4-8-12-19)26(32)28(25(20)31)14-13-18-9-5-3-6-10-18/h3-12,15-16H,13-14,17H2,1-2H3,(H,27,30)
InChIKeyXMSGPLRNWJINNK-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.06
Rot. Bonds8

About 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide

2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide (PubChem CID 15989492) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide
PubChem CID15989492
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide
SMILESCOc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2cc1OC
InChIInChI=1S/C26H25N3O5/c1-33-22-15-20-21(16-23(22)34-2)29(17-24(30)27-19-11-7-4-8-12-19)26(32)28(25(20)31)14-13-18-9-5-3-6-10-18/h3-12,15-16H,13-14,17H2,1-2H3,(H,27,30)
InChIKeyXMSGPLRNWJINNK-UHFFFAOYSA-N
XLogP3.06
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide (CID 15989492) is 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide is COc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2cc1OC.
What is the InChIKey of 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide?
The InChIKey is XMSGPLRNWJINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-33-22-15-20-21(16-23(22)34-2)29(17-24(30)27-19-11-7-4-8-12-19)26(32)28(25(20)31)14-13-18-9-5-3-6-10-18/h3-12,15-16H,13-14,17H2,1-2H3,(H,27,30).
What are the key properties of 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide?
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide has a molecular weight of 459.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 15989492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).