N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide

C19H22N2O3S — CID 86906799

IUPACN-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-3-20(17-9-5-4-6-10-17)19(22)16-11-12-18-15(14-16)8-7-13-21(18)25(2,23)24/h4-6,9-12,14H,3,7-8,13H2,1-2H3
InChIKeyPOQOMTKDCFZSLB-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.07
Rot. Bonds4

About N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 86906799) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID86906799
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-3-20(17-9-5-4-6-10-17)19(22)16-11-12-18-15(14-16)8-7-13-21(18)25(2,23)24/h4-6,9-12,14H,3,7-8,13H2,1-2H3
InChIKeyPOQOMTKDCFZSLB-UHFFFAOYSA-N
XLogP3.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-[methyl-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoic acid
CID 125145565
N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78858403
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 43017160
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
2-(2-methylphenyl)sulfanyl-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 52728116
(5R)-5-ethyl-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41256841
1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 9463690
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86929892
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86912091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 86906799) is N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide is CCN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is POQOMTKDCFZSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-20(17-9-5-4-6-10-17)19(22)16-11-12-18-15(14-16)8-7-13-21(18)25(2,23)24/h4-6,9-12,14H,3,7-8,13H2,1-2H3.
What are the key properties of N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 86906799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).