tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid

C24H32FN3O5S — CID 118864635

IUPACtert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid
SMILESCc1c(N2CCC(CN(C(=O)O)C(C)(C)C)C2)c(F)cc2cc(S(C)(=O)=O)c(=O)n(C3CC3)c12
InChIInChI=1S/C24H32FN3O5S/c1-14-20-16(11-19(34(5,32)33)22(29)28(20)17-6-7-17)10-18(25)21(14)26-9-8-15(12-26)13-27(23(30)31)24(2,3)4/h10-11,15,17H,6-9,12-13H2,1-5H3,(H,30,31)
InChIKeyCMXKQUUMCLOJTI-UHFFFAOYSA-N
MW493.60 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid

tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid (PubChem CID 118864635) has the molecular formula C24H32FN3O5S and a molecular weight of 493.60 g/mol. Its IUPAC name is tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid
PubChem CID118864635
Molecular FormulaC24H32FN3O5S
Molecular Weight493.60 g/mol
Exact Mass493.20
IUPAC Nametert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid
SMILESCc1c(N2CCC(CN(C(=O)O)C(C)(C)C)C2)c(F)cc2cc(S(C)(=O)=O)c(=O)n(C3CC3)c12
InChIInChI=1S/C24H32FN3O5S/c1-14-20-16(11-19(34(5,32)33)22(29)28(20)17-6-7-17)10-18(25)21(14)26-9-8-15(12-26)13-27(23(30)31)24(2,3)4/h10-11,15,17H,6-9,12-13H2,1-5H3,(H,30,31)
InChIKeyCMXKQUUMCLOJTI-UHFFFAOYSA-N
XLogP3.79
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
CID 118864628
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864696
[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 118864704
[1-[1-cyclopropyl-6-fluoro-3-(hydroxymethyl)-8-methyl-2-oxoquinolin-7-yl]-3-fluoropyrrolidin-3-yl]methylcarbamic acid
CID 118864641
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one
CID 130274967
7-[3-[[acetyl(ethyl)amino]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 15622515
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid;ethyl 1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate;hydrochloride
CID 160630431
[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid
CID 118864605
acetonitrile;3-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methylquinazoline-2,4-dione
CID 143050424
tert-butyl N-[[1-(1-cyclopropyl-4-ethenyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamate
CID 130287842
[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate
CID 130275905
[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]methyl-tert-butylcarbamic acid
CID 87662951

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid (CID 118864635) is tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid is Cc1c(N2CCC(CN(C(=O)O)C(C)(C)C)C2)c(F)cc2cc(S(C)(=O)=O)c(=O)n(C3CC3)c12.
What is the InChIKey of tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid?
The InChIKey is CMXKQUUMCLOJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O5S/c1-14-20-16(11-19(34(5,32)33)22(29)28(20)17-6-7-17)10-18(25)21(14)26-9-8-15(12-26)13-27(23(30)31)24(2,3)4/h10-11,15,17H,6-9,12-13H2,1-5H3,(H,30,31).
What are the key properties of tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid?
tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid has a molecular weight of 493.60 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-(1-cyclopropyl-6-fluoro-8-methyl-3-methylsulfonyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamic acid is sourced from PubChem (CID 118864635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).