N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide

About N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide

N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide (PubChem CID 130276682) has the molecular formula C22H31FN4O4S and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide.

Molecular Properties

Compound Name	N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide
PubChem CID	130276682
Molecular Formula	C22H31FN4O4S
Molecular Weight	466.58 g/mol
Exact Mass	466.21
IUPAC Name	N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide
SMILES	Cc1c(N2CCC([C@H](C)N)C2)c(F)cc2c(OCCNS(C)(=O)=O)cc(=O)n(C3CC3)c12
InChI	InChI=1S/C22H31FN4O4S/c1-13-21-17(10-18(23)22(13)26-8-6-15(12-26)14(2)24)19(31-9-7-25-32(3,29)30)11-20(28)27(21)16-4-5-16/h10-11,14-16,25H,4-9,12,24H2,1-3H3/t14-,15?/m0/s1
InChIKey	ITVXYNCMJKOSAN-MLCCFXAWSA-N
XLogP	1.89
TPSA	106.66 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide?

The IUPAC name of N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide (CID 130276682) is N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide?

The canonical SMILES for N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide is Cc1c(N2CCC([C@H](C)N)C2)c(F)cc2c(OCCNS(C)(=O)=O)cc(=O)n(C3CC3)c12.

What is the InChIKey of N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide?

The InChIKey is ITVXYNCMJKOSAN-MLCCFXAWSA-N. The full InChI is InChI=1S/C22H31FN4O4S/c1-13-21-17(10-18(23)22(13)26-8-6-15(12-26)14(2)24)19(31-9-7-25-32(3,29)30)11-20(28)27(21)16-4-5-16/h10-11,14-16,25H,4-9,12,24H2,1-3H3/t14-,15?/m0/s1.

What are the key properties of N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide?

N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide has a molecular weight of 466.58 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide is sourced from PubChem (CID 130276682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).