4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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

C23H24N8O2 — CID 70947998

IUPAC4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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(c1C)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2
InChIInChI=1S/C23H24N8O2/c1-14-17-13-29(8-7-15(17)5-6-18(14)32-2)9-10-30-21-16(12-25-30)22-26-20(19-4-3-11-33-19)28-31(22)23(24)27-21/h3-6,11-12H,7-10,13H2,1-2H3,(H2,24,27)
InChIKeyNBFRFGLTLWPSQT-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.69
Rot. Bonds5

About 4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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-(7-methoxy-8-methyl-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 70947998) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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-(7-methoxy-8-methyl-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 CID70947998
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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(c1C)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2
InChIInChI=1S/C23H24N8O2/c1-14-17-13-29(8-7-15(17)5-6-18(14)32-2)9-10-30-21-16(12-25-30)22-26-20(19-4-3-11-33-19)28-31(22)23(24)27-21/h3-6,11-12H,7-10,13H2,1-2H3,(H2,24,27)
InChIKeyNBFRFGLTLWPSQT-UHFFFAOYSA-N
XLogP2.69
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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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Launch Full Analysis

Related Compounds

10-[2-(6-chloro-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 10127274
10-[2-(1,3-dihydroisoindol-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 10126504
10-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-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 10150788
1-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperidin-4-one
CID 21363908
3-[[1-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperidin-4-ylidene]amino]oxypropan-1-ol
CID 20785217
4-(furan-2-yl)-10-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568291
4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)cyclohexa-1,3-dien-1-yl]piperazin-1-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 44544303
10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-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 146467278
10-[2-[4-[2,4-difluoro-5-[(S)-methylsulfinyl]phenyl]piperazin-1-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 146467261
2-[4-[4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethyl 4-methylbenzenesulfonate
CID 168655219
10-[2-[4-[5-(azetidin-3-yloxy)-2,4-difluorophenyl]piperazin-1-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 146467852
3-[5-[4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]-2,4-difluorophenoxy]propane-1,2-diol
CID 146468619

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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-(7-methoxy-8-methyl-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 70947998) is 4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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-(7-methoxy-8-methyl-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-(7-methoxy-8-methyl-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(c1C)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2.
What is the InChIKey of 4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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 NBFRFGLTLWPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-14-17-13-29(8-7-15(17)5-6-18(14)32-2)9-10-30-21-16(12-25-30)22-26-20(19-4-3-11-33-19)28-31(22)23(24)27-21/h3-6,11-12H,7-10,13H2,1-2H3,(H2,24,27).
What are the key properties of 4-(furan-2-yl)-10-[2-(7-methoxy-8-methyl-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-(7-methoxy-8-methyl-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 444.50 g/mol, XLogP of 2.69, 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-(7-methoxy-8-methyl-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 70947998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).