4-(furan-2-yl)-10-[2-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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

C24H26N8O3 — CID 44560507

IUPAC4-(furan-2-yl)-10-[2-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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)CC2
InChIInChI=1S/C24H26N8O3/c1-33-12-13-35-19-5-2-4-16-7-8-30(15-18(16)19)9-10-31-22-17(14-26-31)23-27-21(20-6-3-11-34-20)29-32(23)24(25)28-22/h2-6,11,14H,7-10,12-13,15H2,1H3,(H2,25,28)
InChIKeyKAMBRAXVIADTNI-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.40
Rot. Bonds8

About 4-(furan-2-yl)-10-[2-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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 44560507) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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 CID44560507
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name4-(furan-2-yl)-10-[2-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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)CC2
InChIInChI=1S/C24H26N8O3/c1-33-12-13-35-19-5-2-4-16-7-8-30(15-18(16)19)9-10-31-22-17(14-26-31)23-27-21(20-6-3-11-34-20)29-32(23)24(25)28-22/h2-6,11,14H,7-10,12-13,15H2,1H3,(H2,25,28)
InChIKeyKAMBRAXVIADTNI-UHFFFAOYSA-N
XLogP2.40
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 52.40
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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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 44560507) is 4-(furan-2-yl)-10-[2-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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)CC2.
What is the InChIKey of 4-(furan-2-yl)-10-[2-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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 KAMBRAXVIADTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-33-12-13-35-19-5-2-4-16-7-8-30(15-18(16)19)9-10-31-22-17(14-26-31)23-27-21(20-6-3-11-34-20)29-32(23)24(25)28-22/h2-6,11,14H,7-10,12-13,15H2,1H3,(H2,25,28).
What are the key properties of 4-(furan-2-yl)-10-[2-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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 474.53 g/mol, XLogP of 2.40, 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-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-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 44560507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).