methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate

C18H20N2O4S — CID 7657735

IUPACmethyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-5-8-16(9-6-13)25(22,23)20-11-3-4-14-12-15(7-10-17(14)20)19-18(21)24-2/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyIFZHFNKDUZFHKZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.31
Rot. Bonds3

About methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate

methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate (PubChem CID 7657735) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate
PubChem CID7657735
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Namemethyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-5-8-16(9-6-13)25(22,23)20-11-3-4-14-12-15(7-10-17(14)20)19-18(21)24-2/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyIFZHFNKDUZFHKZ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The IUPAC name of methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate (CID 7657735) is methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate.
What is the SMILES notation for methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The canonical SMILES for methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate is COC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The InChIKey is IFZHFNKDUZFHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-5-8-16(9-6-13)25(22,23)20-11-3-4-14-12-15(7-10-17(14)20)19-18(21)24-2/h5-10,12H,3-4,11H2,1-2H3,(H,19,21).
What are the key properties of methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate?
methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate has a molecular weight of 360.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate is sourced from PubChem (CID 7657735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).