2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one

C33H34N4O3 — CID 163411027

About 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one

2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one (PubChem CID 163411027) has the molecular formula C33H34N4O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one.

Molecular Properties

• Compound Name: 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
• PubChem CID: 163411027
• Molecular Formula: C33H34N4O3
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.26
• IUPAC Name: 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
• SMILES: CN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)C(C)(C)C1=O
• InChI: InChI=1S/C33H34N4O3/c1-33(2)32(39)35(3)16-17-37(33)18-19-40-25-12-8-22(9-13-25)29-15-11-24-20-23(10-14-30(24)34-29)28-21-36(4)31(38)27-7-5-6-26(27)28/h5-6,8-15,20-21H,7,16-19H2,1-4H3
• InChIKey: XXOUSHRIRZYVQD-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 67.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?

The IUPAC name of 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one (CID 163411027) is 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one.

What is the SMILES notation for 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?

The canonical SMILES for 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one is CN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)C(C)(C)C1=O.

What is the InChIKey of 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?

The InChIKey is XXOUSHRIRZYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O3/c1-33(2)32(39)35(3)16-17-37(33)18-19-40-25-12-8-22(9-13-25)29-15-11-24-20-23(10-14-30(24)34-29)28-21-36(4)31(38)27-7-5-6-26(27)28/h5-6,8-15,20-21H,7,16-19H2,1-4H3.

What are the key properties of 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?

2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one has a molecular weight of 534.66 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 163411027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).