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

C18H20N2O4S — CID 2998844

IUPACmethyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CCC2C)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-7-8-14-5-3-4-6-17(14)20(13)25(22,23)16-11-9-15(10-12-16)19-18(21)24-2/h3-6,9-13H,7-8H2,1-2H3,(H,19,21)
InChIKeyXENISQQPURYPPO-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.39
Rot. Bonds3

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

methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate (PubChem CID 2998844) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
PubChem CID2998844
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Namemethyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CCC2C)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-7-8-14-5-3-4-6-17(14)20(13)25(22,23)16-11-9-15(10-12-16)19-18(21)24-2/h3-6,9-13H,7-8H2,1-2H3,(H,19,21)
InChIKeyXENISQQPURYPPO-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185
ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962182
3-[4-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]propanoic acid
CID 8902779
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methoxyphenyl)thiourea
CID 17262758
5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62162302
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 126803928
methyl 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]butanoate
CID 61457605
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methylphenyl)thiourea
CID 25237642
methyl 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 142549241

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate (CID 2998844) is methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CCC2C)cc1.
What is the InChIKey of methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate?
The InChIKey is XENISQQPURYPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-7-8-14-5-3-4-6-17(14)20(13)25(22,23)16-11-9-15(10-12-16)19-18(21)24-2/h3-6,9-13H,7-8H2,1-2H3,(H,19,21).
What are the key properties of methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate?
methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate has a molecular weight of 360.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate is sourced from PubChem (CID 2998844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).