7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one

C23H34N4O2 — CID 130276547

About 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one

7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one (PubChem CID 130276547) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one.

Molecular Properties

• Compound Name: 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one
• PubChem CID: 130276547
• Molecular Formula: C23H34N4O2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.27
• IUPAC Name: 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one
• SMILES: Cc1c(N2CC[C@@H]([C@H](C)N)C2)ccc2c(OCCN(C)C)cc(=O)n(C3CC3)c12
• InChI: InChI=1S/C23H34N4O2/c1-15-20(26-10-9-17(14-26)16(2)24)8-7-19-21(29-12-11-25(3)4)13-22(28)27(23(15)19)18-5-6-18/h7-8,13,16-18H,5-6,9-12,14,24H2,1-4H3/t16-,17+/m0/s1
• InChIKey: GBHOMFRDSMDEEA-DLBZAZTESA-N
• XLogP: 2.76
• TPSA: 63.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one?

The IUPAC name of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one (CID 130276547) is 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one.

What is the SMILES notation for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one?

The canonical SMILES for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one is Cc1c(N2CC[C@@H]([C@H](C)N)C2)ccc2c(OCCN(C)C)cc(=O)n(C3CC3)c12.

What is the InChIKey of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one?

The InChIKey is GBHOMFRDSMDEEA-DLBZAZTESA-N. The full InChI is InChI=1S/C23H34N4O2/c1-15-20(26-10-9-17(14-26)16(2)24)8-7-19-21(29-12-11-25(3)4)13-22(28)27(23(15)19)18-5-6-18/h7-8,13,16-18H,5-6,9-12,14,24H2,1-4H3/t16-,17+/m0/s1.

What are the key properties of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one?

7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one has a molecular weight of 398.55 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one is sourced from PubChem (CID 130276547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).