9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol

C22H14N4O3 — CID 4898591

IUPAC9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
SMILESOc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4)nc3c1C2c1ccco1
InChIInChI=1S/C22H14N4O3/c27-14-8-9-15-17(11-14)29-22-19(18(15)16-7-4-10-28-16)21-24-20(25-26(21)12-23-22)13-5-2-1-3-6-13/h1-12,18,27H
InChIKeyRZNODYSWWQUHMU-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.38
Rot. Bonds2

About 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol

9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol (PubChem CID 4898591) has the molecular formula C22H14N4O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.

Molecular Properties

Compound Name9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
PubChem CID4898591
Molecular FormulaC22H14N4O3
Molecular Weight382.38 g/mol
Exact Mass382.11
IUPAC Name9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
SMILESOc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4)nc3c1C2c1ccco1
InChIInChI=1S/C22H14N4O3/c27-14-8-9-15-17(11-14)29-22-19(18(15)16-7-4-10-28-16)21-24-20(25-26(21)12-23-22)13-5-2-1-3-6-13/h1-12,18,27H
InChIKeyRZNODYSWWQUHMU-UHFFFAOYSA-N
XLogP4.38
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The IUPAC name of 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol (CID 4898591) is 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.
What is the SMILES notation for 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The canonical SMILES for 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol is Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4)nc3c1C2c1ccco1.
What is the InChIKey of 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The InChIKey is RZNODYSWWQUHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O3/c27-14-8-9-15-17(11-14)29-22-19(18(15)16-7-4-10-28-16)21-24-20(25-26(21)12-23-22)13-5-2-1-3-6-13/h1-12,18,27H.
What are the key properties of 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol has a molecular weight of 382.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-yl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol is sourced from PubChem (CID 4898591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).