12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione

C26H15NO4 — CID 2311188

IUPAC12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione
SMILESCOc1cc(-c2c3c(=O)c4ccccc4c3nc3c2c(=O)c2ccccc23)ccc1O
InChIInChI=1S/C26H15NO4/c1-31-19-12-13(10-11-18(19)28)20-21-23(14-6-2-4-8-16(14)25(21)29)27-24-15-7-3-5-9-17(15)26(30)22(20)24/h2-12,28H,1H3
InChIKeyQTIYOTGNEZWUQL-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.67
Rot. Bonds2

About 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione

12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione (PubChem CID 2311188) has the molecular formula C26H15NO4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione.

Molecular Properties

Compound Name12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione
PubChem CID2311188
Molecular FormulaC26H15NO4
Molecular Weight405.41 g/mol
Exact Mass405.10
IUPAC Name12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione
SMILESCOc1cc(-c2c3c(=O)c4ccccc4c3nc3c2c(=O)c2ccccc23)ccc1O
InChIInChI=1S/C26H15NO4/c1-31-19-12-13(10-11-18(19)28)20-21-23(14-6-2-4-8-16(14)25(21)29)27-24-15-7-3-5-9-17(15)26(30)22(20)24/h2-12,28H,1H3
InChIKeyQTIYOTGNEZWUQL-UHFFFAOYSA-N
XLogP4.67
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione?
The IUPAC name of 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione (CID 2311188) is 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione.
What is the SMILES notation for 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione?
The canonical SMILES for 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione is COc1cc(-c2c3c(=O)c4ccccc4c3nc3c2c(=O)c2ccccc23)ccc1O.
What is the InChIKey of 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione?
The InChIKey is QTIYOTGNEZWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO4/c1-31-19-12-13(10-11-18(19)28)20-21-23(14-6-2-4-8-16(14)25(21)29)27-24-15-7-3-5-9-17(15)26(30)22(20)24/h2-12,28H,1H3.
What are the key properties of 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione?
12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione has a molecular weight of 405.41 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-hydroxy-3-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione is sourced from PubChem (CID 2311188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).