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

C21H24ClN3O3S — CID 71537344

IUPACN-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21
InChIInChI=1S/C21H24ClN3O3S/c1-3-29(27,28)24-19-6-4-5-14-16(11-23-12-17(14)19)15-9-13-7-8-21(26)25(2)20(13)10-18(15)22/h9-12,19,24H,3-8H2,1-2H3
InChIKeyGDFFFZVMFMXFKF-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.63
Rot. Bonds4

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

N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide (PubChem CID 71537344) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide
PubChem CID71537344
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC NameN-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21
InChIInChI=1S/C21H24ClN3O3S/c1-3-29(27,28)24-19-6-4-5-14-16(11-23-12-17(14)19)15-9-13-7-8-21(26)25(2)20(13)10-18(15)22/h9-12,19,24H,3-8H2,1-2H3
InChIKeyGDFFFZVMFMXFKF-UHFFFAOYSA-N
XLogP3.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8R)-4-(6-chloro-1-oxo-3,4-dihydroisoquinolin-2-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]methanesulfonamide
CID 89605602
(rac)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)ethanesulfonamide
CID 71536222
(rac)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)ethanesulfonamide
CID 71536228
N-(2-(5-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)ethyl)ethanesulfonamide
CID 71536488
(rac)-N-[4-(8-Chloro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-propionamide
CID 71537051
(rac)-Ethanesulfonic acid [4-(8-fluoro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-amide
CID 71537347
(rac)-Ethanesulfonic acid [4-(8-chloro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-amide
CID 71537348
N-[(R)-4-(1-Methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-methanesulfonamide
CID 71538740
Cyclopropanesulfonic acid [(R)-4-(1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-amide
CID 71538741
N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide
CID 78103067
N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 78320872
N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 78103177

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide?
The IUPAC name of N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide (CID 71537344) is N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21.
What is the InChIKey of N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide?
The InChIKey is GDFFFZVMFMXFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-3-29(27,28)24-19-6-4-5-14-16(11-23-12-17(14)19)15-9-13-7-8-21(26)25(2)20(13)10-18(15)22/h9-12,19,24H,3-8H2,1-2H3.
What are the key properties of N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide?
N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide has a molecular weight of 433.96 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide is sourced from PubChem (CID 71537344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).