2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid

C15H10N2O3 — CID 151610243

IUPAC2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc3c(c12)C=C1C=CC=NC1O3
InChIInChI=1S/C15H10N2O3/c18-15(19)10-7-17-11-3-4-12-9(13(10)11)6-8-2-1-5-16-14(8)20-12/h1-7,14,17H,(H,18,19)
InChIKeyNMFSHWLOOPDDOQ-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.61
Rot. Bonds1

About 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid

2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid (PubChem CID 151610243) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid.

Molecular Properties

Compound Name2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid
PubChem CID151610243
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc3c(c12)C=C1C=CC=NC1O3
InChIInChI=1S/C15H10N2O3/c18-15(19)10-7-17-11-3-4-12-9(13(10)11)6-8-2-1-5-16-14(8)20-12/h1-7,14,17H,(H,18,19)
InChIKeyNMFSHWLOOPDDOQ-UHFFFAOYSA-N
XLogP2.61
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid?
The IUPAC name of 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid (CID 151610243) is 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid.
What is the SMILES notation for 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid?
The canonical SMILES for 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid is O=C(O)c1c[nH]c2ccc3c(c12)C=C1C=CC=NC1O3.
What is the InChIKey of 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid?
The InChIKey is NMFSHWLOOPDDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15(19)10-7-17-11-3-4-12-9(13(10)11)6-8-2-1-5-16-14(8)20-12/h1-7,14,17H,(H,18,19).
What are the key properties of 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid?
2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-4,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),12,16-heptaene-12-carboxylic acid is sourced from PubChem (CID 151610243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).