7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one

C20H26FN3O2 — CID 130274967

About 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one (PubChem CID 130274967) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one.

Molecular Properties

• Compound Name: 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one
• PubChem CID: 130274967
• Molecular Formula: C20H26FN3O2
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.20
• IUPAC Name: 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one
• SMILES: COc1cc2cc(F)c(N3CCC([C@H](C)N)C3)c(C)c2n(C2CC2)c1=O
• InChI: InChI=1S/C20H26FN3O2/c1-11-18-14(9-17(26-3)20(25)24(18)15-4-5-15)8-16(21)19(11)23-7-6-13(10-23)12(2)22/h8-9,12-13,15H,4-7,10,22H2,1-3H3/t12-,13?/m0/s1
• InChIKey: UHMJZGMWQPNQFS-UEWDXFNNSA-N
• XLogP: 2.97
• TPSA: 60.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one?

The IUPAC name of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one (CID 130274967) is 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one.

What is the SMILES notation for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one?

The canonical SMILES for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one is COc1cc2cc(F)c(N3CCC([C@H](C)N)C3)c(C)c2n(C2CC2)c1=O.

What is the InChIKey of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one?

The InChIKey is UHMJZGMWQPNQFS-UEWDXFNNSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-11-18-14(9-17(26-3)20(25)24(18)15-4-5-15)8-16(21)19(11)23-7-6-13(10-23)12(2)22/h8-9,12-13,15H,4-7,10,22H2,1-3H3/t12-,13?/m0/s1.

What are the key properties of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one?

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one has a molecular weight of 359.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one is sourced from PubChem (CID 130274967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).