6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione

C16H14N2O4 — CID 874396

IUPAC6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C16H14N2O4/c1-21-13-8-11-12(9-14(13)22-2)17-16(20)18(15(11)19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,20)
InChIKeySCUPETBKKWPPTA-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.70
Rot. Bonds3

About 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione

6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione (PubChem CID 874396) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione
PubChem CID874396
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C16H14N2O4/c1-21-13-8-11-12(9-14(13)22-2)17-16(20)18(15(11)19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,20)
InChIKeySCUPETBKKWPPTA-UHFFFAOYSA-N
XLogP1.70
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione
CID 120081
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
CID 624917
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-2,3-dihydroquinazolin-4(1H)-one
CID 2887735
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
N-(7-(4-Methylbenzoyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
CID 1252935
4-[2-(6,7-dimethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethyl]benzenesulfonamide
CID 1945421
6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione
CID 10456471
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione (CID 874396) is 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione is COc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione?
The InChIKey is SCUPETBKKWPPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-13-8-11-12(9-14(13)22-2)17-16(20)18(15(11)19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,20).
What are the key properties of 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione?
6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of 1.70, 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-phenyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 874396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).