methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate

C17H12N2O3 — CID 616317

IUPACmethyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate
SMILESCOC(=O)Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C17H12N2O3/c1-22-14(20)9-19-13-8-4-7-12-15(13)16(18-19)10-5-2-3-6-11(10)17(12)21/h2-8H,9H2,1H3
InChIKeyGMSHDGIMBWMKGE-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.42
Rot. Bonds2

About methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate

methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate (PubChem CID 616317) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate
PubChem CID616317
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namemethyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate
SMILESCOC(=O)Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C17H12N2O3/c1-22-14(20)9-19-13-8-4-7-12-15(13)16(18-19)10-5-2-3-6-11(10)17(12)21/h2-8H,9H2,1H3
InChIKeyGMSHDGIMBWMKGE-UHFFFAOYSA-N
XLogP2.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate?
The IUPAC name of methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate (CID 616317) is methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate.
What is the SMILES notation for methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate?
The canonical SMILES for methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate is COC(=O)Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2.
What is the InChIKey of methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate?
The InChIKey is GMSHDGIMBWMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-22-14(20)9-19-13-8-4-7-12-15(13)16(18-19)10-5-2-3-6-11(10)17(12)21/h2-8H,9H2,1H3.
What are the key properties of methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate?
methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate has a molecular weight of 292.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)acetate is sourced from PubChem (CID 616317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).