(4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione

C10H12N2O4 — CID 822290

IUPAC(4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione
SMILESCOC1=C[C@@H]2NC(=O)NC(=O)[C@@H]2C=C1OC
InChIInChI=1S/C10H12N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-6H,1-2H3,(H2,11,12,13,14)/t5-,6+/m1/s1
InChIKeyKMDHWKKDYUBWGU-RITPCOANSA-N
MW224.22 g/mol
LogP-0.12
Rot. Bonds2

About (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione

(4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione (PubChem CID 822290) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name(4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione
PubChem CID822290
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione
SMILESCOC1=C[C@@H]2NC(=O)NC(=O)[C@@H]2C=C1OC
InChIInChI=1S/C10H12N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-6H,1-2H3,(H2,11,12,13,14)/t5-,6+/m1/s1
InChIKeyKMDHWKKDYUBWGU-RITPCOANSA-N
XLogP-0.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
5-methoxy-1,3-diazinane-2,4,6-trione
CID 15001716
2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171284
2-methoxy-4-sulfanylcyclopent-2-en-1-one
CID 18736371
ethane;5-ethyl-1,3-diazinane-2,4,6-trione
CID 142836832
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
5-pentan-3-ylimidazolidine-2,4-dione
CID 11435187
6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 54323265
2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 47150286
3,5,9,11-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,10,12-tetrone
CID 101425559
(5S)-5-hydroxyimidazolidine-2,4-dione
CID 40649061
6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 85138935

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione?
The IUPAC name of (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione (CID 822290) is (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione?
The canonical SMILES for (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione is COC1=C[C@@H]2NC(=O)NC(=O)[C@@H]2C=C1OC.
What is the InChIKey of (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione?
The InChIKey is KMDHWKKDYUBWGU-RITPCOANSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-6H,1-2H3,(H2,11,12,13,14)/t5-,6+/m1/s1.
What are the key properties of (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione?
(4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione has a molecular weight of 224.22 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6,7-dimethoxy-4a,8a-dihydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 822290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).