6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

C20H19ClN2O4S — CID 167988131

IUPAC6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Cl)c(S(=O)(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2N1
InChIInChI=1S/C20H19ClN2O4S/c21-16-7-12-2-4-19(25)22-17(12)9-18(16)28(26,27)23-10-13-1-3-14(24)8-15(13)20(11-23)5-6-20/h1,3,7-9,24H,2,4-6,10-11H2,(H,22,25)
InChIKeyGJRWGXZELSZRKZ-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.17
Rot. Bonds2

About 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167988131) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID167988131
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Cl)c(S(=O)(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2N1
InChIInChI=1S/C20H19ClN2O4S/c21-16-7-12-2-4-19(25)22-17(12)9-18(16)28(26,27)23-10-13-1-3-14(24)8-15(13)20(11-23)5-6-20/h1,3,7-9,24H,2,4-6,10-11H2,(H,22,25)
InChIKeyGJRWGXZELSZRKZ-UHFFFAOYSA-N
XLogP3.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 167904573
7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 43165341
6-bromo-7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119961805
6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 119963511
6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 43502850
2-(chloromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 63665780
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 86962368
6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737966
4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one
CID 59504541
N-[2-(4-chlorophenyl)sulfanylethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55903441
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 167988131) is 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Cl)c(S(=O)(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2N1.
What is the InChIKey of 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GJRWGXZELSZRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c21-16-7-12-2-4-19(25)22-17(12)9-18(16)28(26,27)23-10-13-1-3-14(24)8-15(13)20(11-23)5-6-20/h1,3,7-9,24H,2,4-6,10-11H2,(H,22,25).
What are the key properties of 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 418.90 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167988131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).