methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate

C12H16N2O4S — CID 7658093

IUPACmethyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)13-10-5-6-11-9(8-10)4-3-7-14(11)19(2,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyZIXHWUYDFLBMDP-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.58
Rot. Bonds2

About methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate

methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate (PubChem CID 7658093) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
PubChem CID7658093
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Namemethyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)13-10-5-6-11-9(8-10)4-3-7-14(11)19(2,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyZIXHWUYDFLBMDP-UHFFFAOYSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)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

2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
CID 110623289
N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-nitrobenzamide
CID 7657972
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The IUPAC name of methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate (CID 7658093) is methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate.
What is the SMILES notation for methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The canonical SMILES for methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate is COC(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The InChIKey is ZIXHWUYDFLBMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-12(15)13-10-5-6-11-9(8-10)4-3-7-14(11)19(2,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate has a molecular weight of 284.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate is sourced from PubChem (CID 7658093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).