7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one

C19H15NO4 — CID 166633585

IUPAC7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
SMILESCOc1ccc2oc3c(c2c1)CCN1C(=O)c2ccccc2OC31
InChIInChI=1S/C19H15NO4/c1-22-11-6-7-16-14(10-11)12-8-9-20-18(21)13-4-2-3-5-15(13)24-19(20)17(12)23-16/h2-7,10,19H,8-9H2,1H3
InChIKeyXDDWXHBJWOFVEV-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.53
Rot. Bonds1

About 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one

7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one (PubChem CID 166633585) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one.

Molecular Properties

Compound Name7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
PubChem CID166633585
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
SMILESCOc1ccc2oc3c(c2c1)CCN1C(=O)c2ccccc2OC31
InChIInChI=1S/C19H15NO4/c1-22-11-6-7-16-14(10-11)12-8-9-20-18(21)13-4-2-3-5-15(13)24-19(20)17(12)23-16/h2-7,10,19H,8-9H2,1H3
InChIKeyXDDWXHBJWOFVEV-UHFFFAOYSA-N
XLogP3.53
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one?
The IUPAC name of 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one (CID 166633585) is 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one.
What is the SMILES notation for 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one?
The canonical SMILES for 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one is COc1ccc2oc3c(c2c1)CCN1C(=O)c2ccccc2OC31.
What is the InChIKey of 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one?
The InChIKey is XDDWXHBJWOFVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-22-11-6-7-16-14(10-11)12-8-9-20-18(21)13-4-2-3-5-15(13)24-19(20)17(12)23-16/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one?
7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one has a molecular weight of 321.33 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,21-dioxa-13-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one is sourced from PubChem (CID 166633585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).