4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline

C17H18FN3O6S — CID 177168514

IUPAC4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline
SMILESCOc1ccc2nccc(C(=O)NCC(=O)N3CCCC3OS(=O)(=O)F)c2c1
InChIInChI=1S/C17H18FN3O6S/c1-26-11-4-5-14-13(9-11)12(6-7-19-14)17(23)20-10-15(22)21-8-2-3-16(21)27-28(18,24)25/h4-7,9,16H,2-3,8,10H2,1H3,(H,20,23)
InChIKeyDJNGYBKUFRBBCO-UHFFFAOYSA-N
MW411.41 g/mol
LogP1.15
Rot. Bonds6

About 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline

4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline (PubChem CID 177168514) has the molecular formula C17H18FN3O6S and a molecular weight of 411.41 g/mol. Its IUPAC name is 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline.

Molecular Properties

Compound Name4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline
PubChem CID177168514
Molecular FormulaC17H18FN3O6S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC Name4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline
SMILESCOc1ccc2nccc(C(=O)NCC(=O)N3CCCC3OS(=O)(=O)F)c2c1
InChIInChI=1S/C17H18FN3O6S/c1-26-11-4-5-14-13(9-11)12(6-7-19-14)17(23)20-10-15(22)21-8-2-3-16(21)27-28(18,24)25/h4-7,9,16H,2-3,8,10H2,1H3,(H,20,23)
InChIKeyDJNGYBKUFRBBCO-UHFFFAOYSA-N
XLogP1.15
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[3-[4-[[2-(2-isocyanopyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]carbamate
CID 172528178
N-[2-[(2S)-2-cyano-5,5-difluoropiperidin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)quinoline-4-carboxamide
CID 154966246
7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 165399906
tert-butyl 4-[3-[4-[[2-[(2R)-2-isocyanopiperidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazine-1-carboxylate
CID 169041541
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
CID 146075276
N-[2-[(2S)-2-(2-chloroacetyl)pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 90655562
N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide
CID 170238094
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide
CID 170151832
6-[3-[4-[3-[2-(2-acetamidoethoxy)ethoxy]propanoyl]piperazin-1-yl]propoxy]-N-[2-[(2R)-2-isocyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 171591200
4,4-difluoro-1-[2-[(6-propan-2-ylquinoline-4-carbonyl)amino]acetyl]pyrrolidine-2-sulfonyl fluoride;molecular hydrogen
CID 170590202
2-[4,7-bis(carboxymethyl)-10-[2-[4-[3-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 169450156

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline?
The IUPAC name of 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline (CID 177168514) is 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline.
What is the SMILES notation for 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline?
The canonical SMILES for 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline is COc1ccc2nccc(C(=O)NCC(=O)N3CCCC3OS(=O)(=O)F)c2c1.
What is the InChIKey of 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline?
The InChIKey is DJNGYBKUFRBBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O6S/c1-26-11-4-5-14-13(9-11)12(6-7-19-14)17(23)20-10-15(22)21-8-2-3-16(21)27-28(18,24)25/h4-7,9,16H,2-3,8,10H2,1H3,(H,20,23).
What are the key properties of 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline?
4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline has a molecular weight of 411.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline is sourced from PubChem (CID 177168514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).