4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C23H24N8O3 — CID 10238586

IUPAC4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCOCCOc1cccc2c1CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2
InChIInChI=1S/C23H24N8O3/c1-32-10-11-34-18-5-2-4-15-13-29(14-17(15)18)7-8-30-21-16(12-25-30)22-26-20(19-6-3-9-33-19)28-31(22)23(24)27-21/h2-6,9,12H,7-8,10-11,13-14H2,1H3,(H2,24,27)
InChIKeySBZVOYPDJJFXDY-UHFFFAOYSA-N
MW460.50 g/mol
LogP2.36
Rot. Bonds8

About 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 10238586) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID10238586
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCOCCOc1cccc2c1CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2
InChIInChI=1S/C23H24N8O3/c1-32-10-11-34-18-5-2-4-15-13-29(14-17(15)18)7-8-30-21-16(12-25-30)22-26-20(19-6-3-9-33-19)28-31(22)23(24)27-21/h2-6,9,12H,7-8,10-11,13-14H2,1H3,(H2,24,27)
InChIKeySBZVOYPDJJFXDY-UHFFFAOYSA-N
XLogP2.36
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The IUPAC name of 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 10238586) is 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.
What is the SMILES notation for 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The canonical SMILES for 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is COCCOc1cccc2c1CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2.
What is the InChIKey of 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The InChIKey is SBZVOYPDJJFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-32-10-11-34-18-5-2-4-15-13-29(14-17(15)18)7-8-30-21-16(12-25-30)22-26-20(19-6-3-9-33-19)28-31(22)23(24)27-21/h2-6,9,12H,7-8,10-11,13-14H2,1H3,(H2,24,27).
What are the key properties of 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 460.50 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-10-[2-[4-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 10238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).