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

C25H23N9O2 — CID 44568403

IUPAC4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCc2ccc3nc(N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C25H23N9O2/c26-25-30-23-18(24-29-22(31-34(24)25)20-2-1-11-36-20)15-27-33(23)8-7-16-3-5-19-17(14-16)4-6-21(28-19)32-9-12-35-13-10-32/h1-6,11,14-15H,7-10,12-13H2,(H2,26,30)
InChIKeySWZNMMUDNJMKIZ-UHFFFAOYSA-N
MW481.52 g/mol
LogP2.94
Rot. Bonds5

About 4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-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-(2-morpholin-4-ylquinolin-6-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 44568403) has the molecular formula C25H23N9O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-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-(2-morpholin-4-ylquinolin-6-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 CID44568403
Molecular FormulaC25H23N9O2
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC Name4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCc2ccc3nc(N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C25H23N9O2/c26-25-30-23-18(24-29-22(31-34(24)25)20-2-1-11-36-20)15-27-33(23)8-7-16-3-5-19-17(14-16)4-6-21(28-19)32-9-12-35-13-10-32/h1-6,11,14-15H,7-10,12-13H2,(H2,26,30)
InChIKeySWZNMMUDNJMKIZ-UHFFFAOYSA-N
XLogP2.94
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-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

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 4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-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-(2-morpholin-4-ylquinolin-6-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 44568403) is 4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-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-(2-morpholin-4-ylquinolin-6-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-(2-morpholin-4-ylquinolin-6-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 Nc1nc2c(cnn2CCc2ccc3nc(N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-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 SWZNMMUDNJMKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O2/c26-25-30-23-18(24-29-22(31-34(24)25)20-2-1-11-36-20)15-27-33(23)8-7-16-3-5-19-17(14-16)4-6-21(28-19)32-9-12-35-13-10-32/h1-6,11,14-15H,7-10,12-13H2,(H2,26,30).
What are the key properties of 4-(furan-2-yl)-10-[2-(2-morpholin-4-ylquinolin-6-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-(2-morpholin-4-ylquinolin-6-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 481.52 g/mol, XLogP of 2.94, 5 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-(2-morpholin-4-ylquinolin-6-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 44568403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).