N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide

C20H23N3O3S — CID 71538740

IUPACN-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide
SMILESCN1C(=O)CCc2cc(-c3cncc4c3CCC[C@H]4NS(C)(=O)=O)ccc21
InChIInChI=1S/C20H23N3O3S/c1-23-19-8-6-13(10-14(19)7-9-20(23)24)16-11-21-12-17-15(16)4-3-5-18(17)22-27(2,25)26/h6,8,10-12,18,22H,3-5,7,9H2,1-2H3/t18-/m1/s1
InChIKeyLGECSSVAXLBSOF-GOSISDBHSA-N
MW385.49 g/mol
LogP2.58
Rot. Bonds3

About N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide

N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide (PubChem CID 71538740) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide
PubChem CID71538740
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide
SMILESCN1C(=O)CCc2cc(-c3cncc4c3CCC[C@H]4NS(C)(=O)=O)ccc21
InChIInChI=1S/C20H23N3O3S/c1-23-19-8-6-13(10-14(19)7-9-20(23)24)16-11-21-12-17-15(16)4-3-5-18(17)22-27(2,25)26/h6,8,10-12,18,22H,3-5,7,9H2,1-2H3/t18-/m1/s1
InChIKeyLGECSSVAXLBSOF-GOSISDBHSA-N
XLogP2.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide?
The IUPAC name of N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide (CID 71538740) is N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide.
What is the SMILES notation for N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide?
The canonical SMILES for N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide is CN1C(=O)CCc2cc(-c3cncc4c3CCC[C@H]4NS(C)(=O)=O)ccc21.
What is the InChIKey of N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide?
The InChIKey is LGECSSVAXLBSOF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-23-19-8-6-13(10-14(19)7-9-20(23)24)16-11-21-12-17-15(16)4-3-5-18(17)22-27(2,25)26/h6,8,10-12,18,22H,3-5,7,9H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide?
N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide is sourced from PubChem (CID 71538740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).