6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione

C17H16N2O4 — CID 718445

IUPAC6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)n(-c3ccc(C)cc3)c(=O)c2cc1OC
InChIInChI=1S/C17H16N2O4/c1-10-4-6-11(7-5-10)19-16(20)12-8-14(22-2)15(23-3)9-13(12)18-17(19)21/h4-9H,1-3H3,(H,18,21)
InChIKeyHEOCGFLTKDYEPD-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.00
Rot. Bonds3

About 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione

6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione (PubChem CID 718445) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
PubChem CID718445
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)n(-c3ccc(C)cc3)c(=O)c2cc1OC
InChIInChI=1S/C17H16N2O4/c1-10-4-6-11(7-5-10)19-16(20)12-8-14(22-2)15(23-3)9-13(12)18-17(19)21/h4-9H,1-3H3,(H,18,21)
InChIKeyHEOCGFLTKDYEPD-UHFFFAOYSA-N
XLogP2.00
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione (CID 718445) is 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione is COc1cc2[nH]c(=O)n(-c3ccc(C)cc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is HEOCGFLTKDYEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-4-6-11(7-5-10)19-16(20)12-8-14(22-2)15(23-3)9-13(12)18-17(19)21/h4-9H,1-3H3,(H,18,21).
What are the key properties of 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione has a molecular weight of 312.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 718445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).