1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline

C18H19NO4S — CID 110602519

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C18H19NO4S/c1-13-10-14-4-2-3-5-16(14)19(12-13)24(20,21)15-6-7-17-18(11-15)23-9-8-22-17/h2-7,11,13H,8-10,12H2,1H3
InChIKeyQHNSDSXEOSAVHD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.85
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 110602519) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID110602519
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C18H19NO4S/c1-13-10-14-4-2-3-5-16(14)19(12-13)24(20,21)15-6-7-17-18(11-15)23-9-8-22-17/h2-7,11,13H,8-10,12H2,1H3
InChIKeyQHNSDSXEOSAVHD-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663004
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110415887
2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole
CID 110609322
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 63378163
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 41429174
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one
CID 110616863
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110609295
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline (CID 110602519) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline is CC1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is QHNSDSXEOSAVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-13-10-14-4-2-3-5-16(14)19(12-13)24(20,21)15-6-7-17-18(11-15)23-9-8-22-17/h2-7,11,13H,8-10,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 345.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110602519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).