methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate

C17H18N2O5S — CID 1190430

IUPACmethyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1
InChIInChI=1S/C17H18N2O5S/c1-24-17(21)18-13-7-9-14(10-8-13)25(22,23)19-11-3-5-12-4-2-6-15(20)16(12)19/h2,4,6-10,20H,3,5,11H2,1H3,(H,18,21)
InChIKeyWVDXSACARBKIOU-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.71
Rot. Bonds3

About methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate

methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate (PubChem CID 1190430) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
PubChem CID1190430
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1
InChIInChI=1S/C17H18N2O5S/c1-24-17(21)18-13-7-9-14(10-8-13)25(22,23)19-11-3-5-12-4-2-6-15(20)16(12)19/h2,4,6-10,20H,3,5,11H2,1H3,(H,18,21)
InChIKeyWVDXSACARBKIOU-UHFFFAOYSA-N
XLogP2.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate with MolForge

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 4794599
1-(4-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinolin-8-ol
CID 1228696
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495430
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 51166399
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63215555
1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63215606
1-(4-Methoxybenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-8-ol
CID 2049185
6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 17467876
methyl N-[5-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)sulfamoyl]-2-hydroxyphenyl]carbamate
CID 66890871
(3-methyloxetan-3-yl)methyl N-[4-[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxyphenyl]butan-2-yl]carbamate
CID 67170918
(3-ethyloxetan-3-yl) N-[4-[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxyphenyl]butan-2-yl]-N-methylcarbamate
CID 67171732

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate (CID 1190430) is methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1.
What is the InChIKey of methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate?
The InChIKey is WVDXSACARBKIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-24-17(21)18-13-7-9-14(10-8-13)25(22,23)19-11-3-5-12-4-2-6-15(20)16(12)19/h2,4,6-10,20H,3,5,11H2,1H3,(H,18,21).
What are the key properties of methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate?
methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate has a molecular weight of 362.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate is sourced from PubChem (CID 1190430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).