3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione

C10H7N3O3 — CID 140823667

IUPAC3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione
SMILESO=C1COc2cc3nc[nH]c(=O)c3cc2N1
InChIInChI=1S/C10H7N3O3/c14-9-3-16-8-2-6-5(1-7(8)13-9)10(15)12-4-11-6/h1-2,4H,3H2,(H,13,14)(H,11,12,15)
InChIKeyCRUHDNAWFIVCMC-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.25
Rot. Bonds

About 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione

3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione (PubChem CID 140823667) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione.

Molecular Properties

Compound Name3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione
PubChem CID140823667
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione
SMILESO=C1COc2cc3nc[nH]c(=O)c3cc2N1
InChIInChI=1S/C10H7N3O3/c14-9-3-16-8-2-6-5(1-7(8)13-9)10(15)12-4-11-6/h1-2,4H,3H2,(H,13,14)(H,11,12,15)
InChIKeyCRUHDNAWFIVCMC-UHFFFAOYSA-N
XLogP0.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione
CID 90860605
9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one
CID 169416854
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
CID 147566654
7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
7-chloro-6-iodo-3H-quinazolin-4-one
CID 136641881
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
CID 135858724
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
6-bromo-7-sulfanyl-4H-1,4-benzoxazin-3-one
CID 43152991
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
CID 22625608

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The IUPAC name of 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione (CID 140823667) is 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione.
What is the SMILES notation for 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The canonical SMILES for 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione is O=C1COc2cc3nc[nH]c(=O)c3cc2N1.
What is the InChIKey of 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The InChIKey is CRUHDNAWFIVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-9-3-16-8-2-6-5(1-7(8)13-9)10(15)12-4-11-6/h1-2,4H,3H2,(H,13,14)(H,11,12,15).
What are the key properties of 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione has a molecular weight of 217.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione is sourced from PubChem (CID 140823667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).