methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone

C24H28N6O2 — CID 144732055

About methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone

methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone (PubChem CID 144732055) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 144732055
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC1c1nc(-c2ccc3c(c2)NCCC3)c2cnc3[nH]ccc3n12.CO
• InChI: InChI=1S/C23H24N6O.CH4O/c1-14(30)28-11-3-5-19(28)23-27-21(16-7-6-15-4-2-9-24-17(15)12-16)20-13-26-22-18(29(20)23)8-10-25-22;1-2/h6-8,10,12-13,19,24-25H,2-5,9,11H2,1H3;2H,1H3
• InChIKey: QFLPPDOLLSESQJ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 98.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone (CID 144732055) is methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nc(-c2ccc3c(c2)NCCC3)c2cnc3[nH]ccc3n12.CO.

What is the InChIKey of methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is QFLPPDOLLSESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.CH4O/c1-14(30)28-11-3-5-19(28)23-27-21(16-7-6-15-4-2-9-24-17(15)12-16)20-13-26-22-18(29(20)23)8-10-25-22;1-2/h6-8,10,12-13,19,24-25H,2-5,9,11H2,1H3;2H,1H3.

What are the key properties of methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone?

methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 432.53 g/mol, XLogP of 3.53, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methanol;1-[2-[10-(1,2,3,4-tetrahydroquinolin-7-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 144732055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).