18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine

C23H21N3O2 — CID 4895658

IUPAC18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
SMILES[H]/N=c1/c2c(ncn1CC(C)C)Oc1ccc3ccccc3c1C2c1ccco1
InChIInChI=1S/C23H21N3O2/c1-14(2)12-26-13-25-23-21(22(26)24)20(17-8-5-11-27-17)19-16-7-4-3-6-15(16)9-10-18(19)28-23/h3-11,13-14,20,24H,12H2,1-2H3/b24-22-
InChIKeyDVAZZABTYRRENN-GYHWCHFESA-N
MW371.44 g/mol
LogP5.05
Rot. Bonds3

About 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine

18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (PubChem CID 4895658) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.

Molecular Properties

Compound Name18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
PubChem CID4895658
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
SMILES[H]/N=c1/c2c(ncn1CC(C)C)Oc1ccc3ccccc3c1C2c1ccco1
InChIInChI=1S/C23H21N3O2/c1-14(2)12-26-13-25-23-21(22(26)24)20(17-8-5-11-27-17)19-16-7-4-3-6-15(16)9-10-18(19)28-23/h3-11,13-14,20,24H,12H2,1-2H3/b24-22-
InChIKeyDVAZZABTYRRENN-GYHWCHFESA-N
XLogP5.05
TPSA64.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The IUPAC name of 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (CID 4895658) is 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.
What is the SMILES notation for 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The canonical SMILES for 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine is [H]/N=c1/c2c(ncn1CC(C)C)Oc1ccc3ccccc3c1C2c1ccco1.
What is the InChIKey of 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The InChIKey is DVAZZABTYRRENN-GYHWCHFESA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14(2)12-26-13-25-23-21(22(26)24)20(17-8-5-11-27-17)19-16-7-4-3-6-15(16)9-10-18(19)28-23/h3-11,13-14,20,24H,12H2,1-2H3/b24-22-.
What are the key properties of 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine has a molecular weight of 371.44 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(furan-2-yl)-15-(2-methylpropyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine is sourced from PubChem (CID 4895658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).