6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione

C8H6N2O3 — CID 142804068

IUPAC6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione
SMILESCc1cc2c(=O)oc(=O)[nH]c2cn1
InChIInChI=1S/C8H6N2O3/c1-4-2-5-6(3-9-4)10-8(12)13-7(5)11/h2-3H,1H3,(H,10,12)
InChIKeyCSPWIWVVBDGHAY-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.18
Rot. Bonds

About 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione

6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione (PubChem CID 142804068) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione
PubChem CID142804068
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione
SMILESCc1cc2c(=O)oc(=O)[nH]c2cn1
InChIInChI=1S/C8H6N2O3/c1-4-2-5-6(3-9-4)10-8(12)13-7(5)11/h2-3H,1H3,(H,10,12)
InChIKeyCSPWIWVVBDGHAY-UHFFFAOYSA-N
XLogP0.18
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione?
The IUPAC name of 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione (CID 142804068) is 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione is Cc1cc2c(=O)oc(=O)[nH]c2cn1.
What is the InChIKey of 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione?
The InChIKey is CSPWIWVVBDGHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c1-4-2-5-6(3-9-4)10-8(12)13-7(5)11/h2-3H,1H3,(H,10,12).
What are the key properties of 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione?
6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione has a molecular weight of 178.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyrido[3,4-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 142804068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).