1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione

C11H6N2O4 — CID 131853462

IUPAC1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione
SMILESO=c1ccc2c(ccc3[nH]c(=O)c(=O)[nH]c32)o1
InChIInChI=1S/C11H6N2O4/c14-8-4-1-5-7(17-8)3-2-6-9(5)13-11(16)10(15)12-6/h1-4H,(H,12,15)(H,13,16)
InChIKeyCBCJZHQPGNNCLF-UHFFFAOYSA-N
MW230.18 g/mol
LogP0.32
Rot. Bonds

About 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione

1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione (PubChem CID 131853462) has the molecular formula C11H6N2O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione.

Molecular Properties

Compound Name1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione
PubChem CID131853462
Molecular FormulaC11H6N2O4
Molecular Weight230.18 g/mol
Exact Mass230.03
IUPAC Name1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione
SMILESO=c1ccc2c(ccc3[nH]c(=O)c(=O)[nH]c32)o1
InChIInChI=1S/C11H6N2O4/c14-8-4-1-5-7(17-8)3-2-6-9(5)13-11(16)10(15)12-6/h1-4H,(H,12,15)(H,13,16)
InChIKeyCBCJZHQPGNNCLF-UHFFFAOYSA-N
XLogP0.32
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione
CID 11666843
2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one
CID 102218797
1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
CID 10375912
9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride
CID 67674687
5-hydroxychromen-2-one
CID 5318179
5,6-diamino-1,4-dihydroquinoxaline-2,3-dione
CID 19915787
thieno[3,2-f]chromen-7-one
CID 102483519
7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one
CID 135593097
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325
5-phenylchromen-2-one
CID 90255348
9-methyl-3H-pyrano[3,2-e]indol-7-one
CID 11708244

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione?
The IUPAC name of 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione (CID 131853462) is 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione.
What is the SMILES notation for 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione?
The canonical SMILES for 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione is O=c1ccc2c(ccc3[nH]c(=O)c(=O)[nH]c32)o1.
What is the InChIKey of 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione?
The InChIKey is CBCJZHQPGNNCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O4/c14-8-4-1-5-7(17-8)3-2-6-9(5)13-11(16)10(15)12-6/h1-4H,(H,12,15)(H,13,16).
What are the key properties of 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione?
1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione has a molecular weight of 230.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione is sourced from PubChem (CID 131853462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).