6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione

C26H24N2O5 — CID 15992644

IUPAC6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)c3ccccc3)c2cc1OC
InChIInChI=1S/C26H24N2O5/c1-32-23-15-20-21(16-24(23)33-2)28(17-22(29)19-11-7-4-8-12-19)26(31)27(25(20)30)14-13-18-9-5-3-6-10-18/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyOWSFJGVZEIFTLF-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.31
Rot. Bonds8

About 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione

6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione (PubChem CID 15992644) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione
PubChem CID15992644
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)c3ccccc3)c2cc1OC
InChIInChI=1S/C26H24N2O5/c1-32-23-15-20-21(16-24(23)33-2)28(17-22(29)19-11-7-4-8-12-19)26(31)27(25(20)30)14-13-18-9-5-3-6-10-18/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyOWSFJGVZEIFTLF-UHFFFAOYSA-N
XLogP3.31
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione?
The IUPAC name of 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione (CID 15992644) is 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione?
The canonical SMILES for 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione is COc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)c3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione?
The InChIKey is OWSFJGVZEIFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-32-23-15-20-21(16-24(23)33-2)28(17-22(29)19-11-7-4-8-12-19)26(31)27(25(20)30)14-13-18-9-5-3-6-10-18/h3-12,15-16H,13-14,17H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione?
6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione has a molecular weight of 444.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 15992644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).