10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one

C24H14N2O2 — CID 118248460

IUPAC10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one
SMILESO=c1oc2ccncc2c2cc3c(cc12)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C24H14N2O2/c27-24-19-12-18-16-8-4-5-9-21(16)26(15-6-2-1-3-7-15)22(18)13-17(19)20-14-25-11-10-23(20)28-24/h1-14H
InChIKeyUPLLUOJORCNZTO-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.44
Rot. Bonds1

About 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one

10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one (PubChem CID 118248460) has the molecular formula C24H14N2O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one.

Molecular Properties

Compound Name10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one
PubChem CID118248460
Molecular FormulaC24H14N2O2
Molecular Weight362.39 g/mol
Exact Mass362.11
IUPAC Name10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one
SMILESO=c1oc2ccncc2c2cc3c(cc12)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C24H14N2O2/c27-24-19-12-18-16-8-4-5-9-21(16)26(15-6-2-1-3-7-15)22(18)13-17(19)20-14-25-11-10-23(20)28-24/h1-14H
InChIKeyUPLLUOJORCNZTO-UHFFFAOYSA-N
XLogP5.44
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one?
The IUPAC name of 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one (CID 118248460) is 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one.
What is the SMILES notation for 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one?
The canonical SMILES for 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one is O=c1oc2ccncc2c2cc3c(cc12)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one?
The InChIKey is UPLLUOJORCNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O2/c27-24-19-12-18-16-8-4-5-9-21(16)26(15-6-2-1-3-7-15)22(18)13-17(19)20-14-25-11-10-23(20)28-24/h1-14H.
What are the key properties of 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one?
10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one has a molecular weight of 362.39 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-20-oxa-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-21-one is sourced from PubChem (CID 118248460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).