1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone

C20H22N2O4S — CID 70758696

IUPAC1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1
InChIInChI=1S/C20H22N2O4S/c23-14-20(24)21-11-9-15-7-8-18(12-17(15)13-21)27(25,26)22-10-3-5-16-4-1-2-6-19(16)22/h1-2,4,6-8,12,23H,3,5,9-11,13-14H2
InChIKeyVXMFYCLZIMHHHF-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.71
Rot. Bonds3

About 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone

1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone (PubChem CID 70758696) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone
PubChem CID70758696
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1
InChIInChI=1S/C20H22N2O4S/c23-14-20(24)21-11-9-15-7-8-18(12-17(15)13-21)27(25,26)22-10-3-5-16-4-1-2-6-19(16)22/h1-2,4,6-8,12,23H,3,5,9-11,13-14H2
InChIKeyVXMFYCLZIMHHHF-UHFFFAOYSA-N
XLogP1.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone with MolForge

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Related Compounds

1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-1-one
CID 70764470
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1169483
2-phenyl-1-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110644452
cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
CID 3244754
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370914
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
3,3-dimethyl-1-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 110644483
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 20909681

Frequently Asked Questions

What is the IUPAC name of 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone?
The IUPAC name of 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone (CID 70758696) is 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone is O=C(CO)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1.
What is the InChIKey of 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone?
The InChIKey is VXMFYCLZIMHHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-14-20(24)21-11-9-15-7-8-18(12-17(15)13-21)27(25,26)22-10-3-5-16-4-1-2-6-19(16)22/h1-2,4,6-8,12,23H,3,5,9-11,13-14H2.
What are the key properties of 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone?
1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone has a molecular weight of 386.47 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone is sourced from PubChem (CID 70758696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).