11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene

C24H17N3O2 — CID 3485092

IUPAC11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene
SMILESCOc1ccc(C2N=C3Oc4ccccc4C=C3c3nc4ccccc4n32)cc1
InChIInChI=1S/C24H17N3O2/c1-28-17-12-10-15(11-13-17)22-26-24-18(14-16-6-2-5-9-21(16)29-24)23-25-19-7-3-4-8-20(19)27(22)23/h2-14,22H,1H3
InChIKeyAXOPUKSVRSNDAE-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.94
Rot. Bonds2

About 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene

11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene (PubChem CID 3485092) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene.

Molecular Properties

Compound Name11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene
PubChem CID3485092
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene
SMILESCOc1ccc(C2N=C3Oc4ccccc4C=C3c3nc4ccccc4n32)cc1
InChIInChI=1S/C24H17N3O2/c1-28-17-12-10-15(11-13-17)22-26-24-18(14-16-6-2-5-9-21(16)29-24)23-25-19-7-3-4-8-20(19)27(22)23/h2-14,22H,1H3
InChIKeyAXOPUKSVRSNDAE-UHFFFAOYSA-N
XLogP4.94
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene?
The IUPAC name of 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene (CID 3485092) is 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene.
What is the SMILES notation for 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene?
The canonical SMILES for 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene is COc1ccc(C2N=C3Oc4ccccc4C=C3c3nc4ccccc4n32)cc1.
What is the InChIKey of 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene?
The InChIKey is AXOPUKSVRSNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-28-17-12-10-15(11-13-17)22-26-24-18(14-16-6-2-5-9-21(16)29-24)23-25-19-7-3-4-8-20(19)27(22)23/h2-14,22H,1H3.
What are the key properties of 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene?
11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene has a molecular weight of 379.42 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene is sourced from PubChem (CID 3485092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).