1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline

C18H19NO5S — CID 110663004

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc3c(c1)OCO3)CC(C)C2
InChIInChI=1S/C18H19NO5S/c1-12-7-13-3-4-14(22-2)8-16(13)19(10-12)25(20,21)15-5-6-17-18(9-15)24-11-23-17/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyKNRAHDROKJUGEL-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.81
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline

1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 110663004) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID110663004
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc3c(c1)OCO3)CC(C)C2
InChIInChI=1S/C18H19NO5S/c1-12-7-13-3-4-14(22-2)8-16(13)19(10-12)25(20,21)15-5-6-17-18(9-15)24-11-23-17/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyKNRAHDROKJUGEL-UHFFFAOYSA-N
XLogP2.81
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
CID 110663008
1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110662954
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110663091
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
CID 110662965
1-(1,3-benzodioxol-5-ylsulfonyl)-4-methyl-3,4-dihydro-2H-quinoline
CID 110737850
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
N-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53096911
1,3-benzodioxol-5-yl 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 7913415
3-[6-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]propanoic acid
CID 71031157

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline (CID 110663004) is 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline is COc1ccc2c(c1)N(S(=O)(=O)c1ccc3c(c1)OCO3)CC(C)C2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is KNRAHDROKJUGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-12-7-13-3-4-14(22-2)8-16(13)19(10-12)25(20,21)15-5-6-17-18(9-15)24-11-23-17/h3-6,8-9,12H,7,10-11H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline?
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 361.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110663004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).