4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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

C26H25N9O2 — CID 44568376

IUPAC4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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(CN4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C26H25N9O2/c27-26-31-24-20(25-30-23(32-35(25)26)22-2-1-11-37-22)15-28-34(24)8-7-17-3-6-21-18(14-17)4-5-19(29-21)16-33-9-12-36-13-10-33/h1-6,11,14-15H,7-10,12-13,16H2,(H2,27,31)
InChIKeyOGOBUCCRRODXQN-UHFFFAOYSA-N
MW495.55 g/mol
LogP2.94
Rot. Bonds6

About 4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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-ylmethyl)quinolin-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 44568376) has the molecular formula C26H25N9O2 and a molecular weight of 495.55 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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-ylmethyl)quinolin-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 CID44568376
Molecular FormulaC26H25N9O2
Molecular Weight495.55 g/mol
Exact Mass495.21
IUPAC Name4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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(CN4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C26H25N9O2/c27-26-31-24-20(25-30-23(32-35(25)26)22-2-1-11-37-22)15-28-34(24)8-7-17-3-6-21-18(14-17)4-5-19(29-21)16-33-9-12-36-13-10-33/h1-6,11,14-15H,7-10,12-13,16H2,(H2,27,31)
InChIKeyOGOBUCCRRODXQN-UHFFFAOYSA-N
XLogP2.94
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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-ylmethyl)quinolin-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 44568376) is 4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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-ylmethyl)quinolin-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-ylmethyl)quinolin-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(CN4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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 OGOBUCCRRODXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O2/c27-26-31-24-20(25-30-23(32-35(25)26)22-2-1-11-37-22)15-28-34(24)8-7-17-3-6-21-18(14-17)4-5-19(29-21)16-33-9-12-36-13-10-33/h1-6,11,14-15H,7-10,12-13,16H2,(H2,27,31).
What are the key properties of 4-(furan-2-yl)-10-[2-[2-(morpholin-4-ylmethyl)quinolin-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-ylmethyl)quinolin-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 495.55 g/mol, XLogP of 2.94, 6 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-ylmethyl)quinolin-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 44568376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).