N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

C26H29N3O3 — CID 68900104

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (PubChem CID 68900104) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
• PubChem CID: 68900104
• Molecular Formula: C26H29N3O3
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.22
• IUPAC Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
• SMILES: CCC(=O)N(Cc1ccc(N2CCCC2=O)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
• InChI: InChI=1S/C26H29N3O3/c1-4-23(30)28(15-19-7-9-22(10-8-19)29-11-5-6-24(29)31)16-21-14-20-13-17(2)12-18(3)25(20)27-26(21)32/h7-10,12-14H,4-6,11,15-16H2,1-3H3,(H,27,32)
• InChIKey: GEAYNAPTTUBROD-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 73.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?

The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (CID 68900104) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?

The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is CCC(=O)N(Cc1ccc(N2CCCC2=O)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O.

What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?

The InChIKey is GEAYNAPTTUBROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-4-23(30)28(15-19-7-9-22(10-8-19)29-11-5-6-24(29)31)16-21-14-20-13-17(2)12-18(3)25(20)27-26(21)32/h7-10,12-14H,4-6,11,15-16H2,1-3H3,(H,27,32).

What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 68900104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).