9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one

C18H15NO3 — CID 66999803

IUPAC9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one
SMILESCOc1cccc2c1C1CC(=O)C=CN1c1ccccc1O2
InChIInChI=1S/C18H15NO3/c1-21-16-7-4-8-17-18(16)14-11-12(20)9-10-19(14)13-5-2-3-6-15(13)22-17/h2-10,14H,11H2,1H3
InChIKeyGRIKFTGHROKICA-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.84
Rot. Bonds1

About 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one

9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one (PubChem CID 66999803) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one.

Molecular Properties

Compound Name9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one
PubChem CID66999803
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one
SMILESCOc1cccc2c1C1CC(=O)C=CN1c1ccccc1O2
InChIInChI=1S/C18H15NO3/c1-21-16-7-4-8-17-18(16)14-11-12(20)9-10-19(14)13-5-2-3-6-15(13)22-17/h2-10,14H,11H2,1H3
InChIKeyGRIKFTGHROKICA-UHFFFAOYSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one?
The IUPAC name of 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one (CID 66999803) is 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one.
What is the SMILES notation for 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one?
The canonical SMILES for 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one is COc1cccc2c1C1CC(=O)C=CN1c1ccccc1O2.
What is the InChIKey of 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one?
The InChIKey is GRIKFTGHROKICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-16-7-4-8-17-18(16)14-11-12(20)9-10-19(14)13-5-2-3-6-15(13)22-17/h2-10,14H,11H2,1H3.
What are the key properties of 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one?
9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one has a molecular weight of 293.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,8(13),9,11,15,17-heptaen-5-one is sourced from PubChem (CID 66999803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).