methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate

C16H10N2O3 — CID 14669033

IUPACmethyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n3c(=O)ccc(n1)c23
InChIInChI=1S/C16H10N2O3/c1-21-16(20)12-8-10-9-4-2-3-5-13(9)18-14(19)7-6-11(17-12)15(10)18/h2-8H,1H3
InChIKeyXQXQAMBHZZKHOL-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.23
Rot. Bonds1

About methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate

methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate (PubChem CID 14669033) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate
PubChem CID14669033
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Namemethyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n3c(=O)ccc(n1)c23
InChIInChI=1S/C16H10N2O3/c1-21-16(20)12-8-10-9-4-2-3-5-13(9)18-14(19)7-6-11(17-12)15(10)18/h2-8H,1H3
InChIKeyXQXQAMBHZZKHOL-UHFFFAOYSA-N
XLogP2.23
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate?
The IUPAC name of methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate (CID 14669033) is methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate?
The canonical SMILES for methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate is COC(=O)c1cc2c3ccccc3n3c(=O)ccc(n1)c23.
What is the InChIKey of methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate?
The InChIKey is XQXQAMBHZZKHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c1-21-16(20)12-8-10-9-4-2-3-5-13(9)18-14(19)7-6-11(17-12)15(10)18/h2-8H,1H3.
What are the key properties of methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate?
methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate has a molecular weight of 278.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaene-7-carboxylate is sourced from PubChem (CID 14669033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).