8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid

C14H10N2O6 — CID 101479910

IUPAC8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid
SMILESO=C(O)c1ccc2c(n1)-c1nc(C(=O)O)ccc1OCCO2
InChIInChI=1S/C14H10N2O6/c17-13(18)7-1-3-9-11(15-7)12-10(22-6-5-21-9)4-2-8(16-12)14(19)20/h1-4H,5-6H2,(H,17,18)(H,19,20)
InChIKeyYVWYETHEUONUCN-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.31
Rot. Bonds2

About 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid

8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid (PubChem CID 101479910) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid.

Molecular Properties

Compound Name8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid
PubChem CID101479910
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid
SMILESO=C(O)c1ccc2c(n1)-c1nc(C(=O)O)ccc1OCCO2
InChIInChI=1S/C14H10N2O6/c17-13(18)7-1-3-9-11(15-7)12-10(22-6-5-21-9)4-2-8(16-12)14(19)20/h1-4H,5-6H2,(H,17,18)(H,19,20)
InChIKeyYVWYETHEUONUCN-UHFFFAOYSA-N
XLogP1.31
TPSA118.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid with MolForge

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Related Compounds

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5-cyano-6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]pyridine-2-carboxylic acid
CID 126800753
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid
CID 156761597
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyrimidine-4-carboxylic acid
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6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid
CID 166147362
CID 91986542
CID 91986542
carbamic acid;2,3-dihydro-1,4-benzodioxine
CID 67613608
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline-6-carboxylic acid
CID 82572007
3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole-9-carboxylic acid;ethane
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Frequently Asked Questions

What is the IUPAC name of 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid?
The IUPAC name of 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid (CID 101479910) is 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid.
What is the SMILES notation for 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid?
The canonical SMILES for 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid is O=C(O)c1ccc2c(n1)-c1nc(C(=O)O)ccc1OCCO2.
What is the InChIKey of 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid?
The InChIKey is YVWYETHEUONUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-13(18)7-1-3-9-11(15-7)12-10(22-6-5-21-9)4-2-8(16-12)14(19)20/h1-4H,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid?
8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid has a molecular weight of 302.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid is sourced from PubChem (CID 101479910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).