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

C22H25N3O3S — CID 71538741

IUPACN-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]cyclopropanesulfonamide
SMILESCN1C(=O)CCc2cc(-c3cncc4c3CCC[C@H]4NS(=O)(=O)C3CC3)ccc21
InChIInChI=1S/C22H25N3O3S/c1-25-21-9-5-14(11-15(21)6-10-22(25)26)18-12-23-13-19-17(18)3-2-4-20(19)24-29(27,28)16-7-8-16/h5,9,11-13,16,20,24H,2-4,6-8,10H2,1H3/t20-/m1/s1
InChIKeyUCOSNKRUHVSIHZ-HXUWFJFHSA-N
MW411.53 g/mol
LogP3.12
Rot. Bonds4

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

N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]cyclopropanesulfonamide (PubChem CID 71538741) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 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]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]cyclopropanesulfonamide
PubChem CID71538741
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]cyclopropanesulfonamide
SMILESCN1C(=O)CCc2cc(-c3cncc4c3CCC[C@H]4NS(=O)(=O)C3CC3)ccc21
InChIInChI=1S/C22H25N3O3S/c1-25-21-9-5-14(11-15(21)6-10-22(25)26)18-12-23-13-19-17(18)3-2-4-20(19)24-29(27,28)16-7-8-16/h5,9,11-13,16,20,24H,2-4,6-8,10H2,1H3/t20-/m1/s1
InChIKeyUCOSNKRUHVSIHZ-HXUWFJFHSA-N
XLogP3.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

Baxdrostat
CID 71535962
(Rac)-Baxdrostat
CID 71535961
(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)propionamide
CID 71536225
(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
6-[1-(2-aminoethyl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 71536486
N-{2-[5-(1-Methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-3,4-dihydro-2H-[1,7]naphthyridin-1-yl]-ethyl}-propionamide
CID 71536487
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
Baxdrostat Impurity 21
CID 71536489
Baxdrostat Impurity 22
CID 71536490
(rac)-N-(4-(7-Fluoro-1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)ethanesulfonamide
CID 71536768
(rac)-N-[4-(7-Fluoro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro isoquinolin-8-yl]-propionamide
CID 71537046

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]cyclopropanesulfonamide?
The IUPAC name of N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]cyclopropanesulfonamide (CID 71538741) is N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]cyclopropanesulfonamide.
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]cyclopropanesulfonamide?
The canonical SMILES for N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]cyclopropanesulfonamide is CN1C(=O)CCc2cc(-c3cncc4c3CCC[C@H]4NS(=O)(=O)C3CC3)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]cyclopropanesulfonamide?
The InChIKey is UCOSNKRUHVSIHZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-25-21-9-5-14(11-15(21)6-10-22(25)26)18-12-23-13-19-17(18)3-2-4-20(19)24-29(27,28)16-7-8-16/h5,9,11-13,16,20,24H,2-4,6-8,10H2,1H3/t20-/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]cyclopropanesulfonamide?
N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]cyclopropanesulfonamide has a molecular weight of 411.53 g/mol, XLogP of 3.12, 4 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]cyclopropanesulfonamide is sourced from PubChem (CID 71538741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).