10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C24H26N8O3 — CID 10288740

IUPAC10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCOc1cc2c(cc1OC)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C(C)C2
InChIInChI=1S/C24H26N8O3/c1-14-9-15-10-19(33-2)20(34-3)11-16(15)13-30(14)6-7-31-22-17(12-26-31)23-27-21(18-5-4-8-35-18)29-32(23)24(25)28-22/h4-5,8,10-12,14H,6-7,9,13H2,1-3H3,(H2,25,28)
InChIKeyCQSMMVCSCDSVCG-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.78
Rot. Bonds6

About 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 10288740) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-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 Name10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID10288740
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCOc1cc2c(cc1OC)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C(C)C2
InChIInChI=1S/C24H26N8O3/c1-14-9-15-10-19(33-2)20(34-3)11-16(15)13-30(14)6-7-31-22-17(12-26-31)23-27-21(18-5-4-8-35-18)29-32(23)24(25)28-22/h4-5,8,10-12,14H,6-7,9,13H2,1-3H3,(H2,25,28)
InChIKeyCQSMMVCSCDSVCG-UHFFFAOYSA-N
XLogP2.78
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-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 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 10288740) is 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-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 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-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 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is COc1cc2c(cc1OC)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C(C)C2.
What is the InChIKey of 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-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 CQSMMVCSCDSVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-14-9-15-10-19(33-2)20(34-3)11-16(15)13-30(14)6-7-31-22-17(12-26-31)23-27-21(18-5-4-8-35-18)29-32(23)24(25)28-22/h4-5,8,10-12,14H,6-7,9,13H2,1-3H3,(H2,25,28).
What are the key properties of 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-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 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-yl)-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 10288740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).