6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid

C18H17NO6 — CID 146180846

IUPAC6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid
SMILESCOC1COc2cc3c(cc2OC1)-c1cc(=O)c(C(=O)O)cn1CC3
InChIInChI=1S/C18H17NO6/c1-23-11-8-24-16-4-10-2-3-19-7-13(18(21)22)15(20)6-14(19)12(10)5-17(16)25-9-11/h4-7,11H,2-3,8-9H2,1H3,(H,21,22)
InChIKeySKTYETQPDKKSGP-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.56
Rot. Bonds2

About 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid

6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid (PubChem CID 146180846) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid
PubChem CID146180846
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid
SMILESCOC1COc2cc3c(cc2OC1)-c1cc(=O)c(C(=O)O)cn1CC3
InChIInChI=1S/C18H17NO6/c1-23-11-8-24-16-4-10-2-3-19-7-13(18(21)22)15(20)6-14(19)12(10)5-17(16)25-9-11/h4-7,11H,2-3,8-9H2,1H3,(H,21,22)
InChIKeySKTYETQPDKKSGP-UHFFFAOYSA-N
XLogP1.56
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid?
The IUPAC name of 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid (CID 146180846) is 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid.
What is the SMILES notation for 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid?
The canonical SMILES for 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid is COC1COc2cc3c(cc2OC1)-c1cc(=O)c(C(=O)O)cn1CC3.
What is the InChIKey of 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid?
The InChIKey is SKTYETQPDKKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-23-11-8-24-16-4-10-2-3-19-7-13(18(21)22)15(20)6-14(19)12(10)5-17(16)25-9-11/h4-7,11H,2-3,8-9H2,1H3,(H,21,22).
What are the key properties of 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid?
6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid is sourced from PubChem (CID 146180846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).