10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

C17H11NO5 — CID 162817781

IUPAC10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
SMILESCOc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1O
InChIInChI=1S/C17H11NO5/c1-21-12-4-2-3-8-9(12)5-11-14-10(17(19)18(11)20)6-13-16(15(8)14)23-7-22-13/h2-6,20H,7H2,1H3
InChIKeyATGOGGUVOYTWAC-UHFFFAOYSA-N
MW309.28 g/mol
LogP3.08
Rot. Bonds1

About 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one (PubChem CID 162817781) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one.

Molecular Properties

Compound Name10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
PubChem CID162817781
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
SMILESCOc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1O
InChIInChI=1S/C17H11NO5/c1-21-12-4-2-3-8-9(12)5-11-14-10(17(19)18(11)20)6-13-16(15(8)14)23-7-22-13/h2-6,20H,7H2,1H3
InChIKeyATGOGGUVOYTWAC-UHFFFAOYSA-N
XLogP3.08
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one?
The IUPAC name of 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one (CID 162817781) is 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one.
What is the SMILES notation for 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one?
The canonical SMILES for 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one is COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1O.
What is the InChIKey of 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one?
The InChIKey is ATGOGGUVOYTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c1-21-12-4-2-3-8-9(12)5-11-14-10(17(19)18(11)20)6-13-16(15(8)14)23-7-22-13/h2-6,20H,7H2,1H3.
What are the key properties of 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one?
10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one has a molecular weight of 309.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one is sourced from PubChem (CID 162817781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).