4-(furan-2-yl)-10-[2-(6-methoxy-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

C22H22N8O2 — CID 10288019

IUPAC4-(furan-2-yl)-10-[2-(6-methoxy-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
SMILESCOc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2
InChIInChI=1S/C22H22N8O2/c1-31-16-5-4-15-13-28(7-6-14(15)11-16)8-9-29-20-17(12-24-29)21-25-19(18-3-2-10-32-18)27-30(21)22(23)26-20/h2-5,10-12H,6-9,13H2,1H3,(H2,23,26)
InChIKeyDRWJPOTZQUCTJY-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.38
Rot. Bonds5

About 4-(furan-2-yl)-10-[2-(6-methoxy-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-(6-methoxy-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 10288019) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-(6-methoxy-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-(6-methoxy-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 CID10288019
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name4-(furan-2-yl)-10-[2-(6-methoxy-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
SMILESCOc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2
InChIInChI=1S/C22H22N8O2/c1-31-16-5-4-15-13-28(7-6-14(15)11-16)8-9-29-20-17(12-24-29)21-25-19(18-3-2-10-32-18)27-30(21)22(23)26-20/h2-5,10-12H,6-9,13H2,1H3,(H2,23,26)
InChIKeyDRWJPOTZQUCTJY-UHFFFAOYSA-N
XLogP2.38
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(furan-2-yl)-10-[2-(6-methoxy-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-(6-methoxy-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-(6-methoxy-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 10288019) is 4-(furan-2-yl)-10-[2-(6-methoxy-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-(6-methoxy-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-(6-methoxy-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 COc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2.
What is the InChIKey of 4-(furan-2-yl)-10-[2-(6-methoxy-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 DRWJPOTZQUCTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-31-16-5-4-15-13-28(7-6-14(15)11-16)8-9-29-20-17(12-24-29)21-25-19(18-3-2-10-32-18)27-30(21)22(23)26-20/h2-5,10-12H,6-9,13H2,1H3,(H2,23,26).
What are the key properties of 4-(furan-2-yl)-10-[2-(6-methoxy-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-(6-methoxy-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 430.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-10-[2-(6-methoxy-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 10288019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).