N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C20H22N2O4S — CID 86929892

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NCC3Cc4ccccc4O3)ccc21
InChIInChI=1S/C20H22N2O4S/c1-27(24,25)22-10-4-6-14-11-16(8-9-18(14)22)20(23)21-13-17-12-15-5-2-3-7-19(15)26-17/h2-3,5,7-9,11,17H,4,6,10,12-13H2,1H3,(H,21,23)
InChIKeyURSWODVUBAXEOS-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.13
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 86929892) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID86929892
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NCC3Cc4ccccc4O3)ccc21
InChIInChI=1S/C20H22N2O4S/c1-27(24,25)22-10-4-6-14-11-16(8-9-18(14)22)20(23)21-13-17-12-15-5-2-3-7-19(15)26-17/h2-3,5,7-9,11,17H,4,6,10,12-13H2,1H3,(H,21,23)
InChIKeyURSWODVUBAXEOS-UHFFFAOYSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
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
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
N-(3-amino-2-methylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119995968
1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 9463690
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8819694
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 27757054
1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 43064866
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86980901

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 86929892) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is CS(=O)(=O)N1CCCc2cc(C(=O)NCC3Cc4ccccc4O3)ccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is URSWODVUBAXEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-27(24,25)22-10-4-6-14-11-16(8-9-18(14)22)20(23)21-13-17-12-15-5-2-3-7-19(15)26-17/h2-3,5,7-9,11,17H,4,6,10,12-13H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 86929892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).