(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate

C10H9ClN2O5S — CID 116799026

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate
SMILESO=C1CCc2cc(OC(=O)NS(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C10H9ClN2O5S/c11-19(16,17)13-10(15)18-7-2-3-8-6(5-7)1-4-9(14)12-8/h2-3,5H,1,4H2,(H,12,14)(H,13,15)
InChIKeyDIMOZMMMSDKRJM-UHFFFAOYSA-N
MW304.71 g/mol
LogP1.14
Rot. Bonds2

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate (PubChem CID 116799026) has the molecular formula C10H9ClN2O5S and a molecular weight of 304.71 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate
PubChem CID116799026
Molecular FormulaC10H9ClN2O5S
Molecular Weight304.71 g/mol
Exact Mass303.99
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate
SMILESO=C1CCc2cc(OC(=O)NS(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C10H9ClN2O5S/c11-19(16,17)13-10(15)18-7-2-3-8-6(5-7)1-4-9(14)12-8/h2-3,5H,1,4H2,(H,12,14)(H,13,15)
InChIKeyDIMOZMMMSDKRJM-UHFFFAOYSA-N
XLogP1.14
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
CID 18226763
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(difluoromethylsulfonyl)benzoate
CID 18270386
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
N-cyclohexylsulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 154775488

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate (CID 116799026) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate is O=C1CCc2cc(OC(=O)NS(=O)(=O)Cl)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate?
The InChIKey is DIMOZMMMSDKRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O5S/c11-19(16,17)13-10(15)18-7-2-3-8-6(5-7)1-4-9(14)12-8/h2-3,5H,1,4H2,(H,12,14)(H,13,15).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate has a molecular weight of 304.71 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 116799026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).