[6-[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]quinolin-2-yl]-morpholin-4-ylmethanone

C26H23N9O3 — CID 44568401

About [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone

[6-[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]quinolin-2-yl]-morpholin-4-ylmethanone (PubChem CID 44568401) has the molecular formula C26H23N9O3 and a molecular weight of 509.53 g/mol. Its IUPAC name is [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone
• PubChem CID: 44568401
• Molecular Formula: C26H23N9O3
• Molecular Weight: 509.53 g/mol
• Exact Mass: 509.19
• IUPAC Name: [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone
• SMILES: Nc1nc2c(cnn2CCc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12
• InChI: InChI=1S/C26H23N9O3/c27-26-31-23-18(24-30-22(32-35(24)26)21-2-1-11-38-21)15-28-34(23)8-7-16-3-5-19-17(14-16)4-6-20(29-19)25(36)33-9-12-37-13-10-33/h1-6,11,14-15H,7-10,12-13H2,(H2,27,31)
• InChIKey: FEZAUPQJLJCQHD-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 142.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.53
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone?

The IUPAC name of [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone (CID 44568401) is [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone is Nc1nc2c(cnn2CCc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12.

What is the InChIKey of [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone?

The InChIKey is FEZAUPQJLJCQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N9O3/c27-26-31-23-18(24-30-22(32-35(24)26)21-2-1-11-38-21)15-28-34(23)8-7-16-3-5-19-17(14-16)4-6-20(29-19)25(36)33-9-12-37-13-10-33/h1-6,11,14-15H,7-10,12-13H2,(H2,27,31).

What are the key properties of [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone?

[6-[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]quinolin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 509.53 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[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]quinolin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 44568401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).