N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine

C21H21N3O4S — CID 46283426

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
SMILESO=S(=O)(c1ccc2nc(Nc3ccc4c(c3)OCCO4)ccc2c1)N1CCCC1
InChIInChI=1S/C21H21N3O4S/c25-29(26,24-9-1-2-10-24)17-5-6-18-15(13-17)3-8-21(23-18)22-16-4-7-19-20(14-16)28-12-11-27-19/h3-8,13-14H,1-2,9-12H2,(H,22,23)
InChIKeyYYVPZUUUKXPBOW-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.53
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine (PubChem CID 46283426) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
PubChem CID46283426
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
SMILESO=S(=O)(c1ccc2nc(Nc3ccc4c(c3)OCCO4)ccc2c1)N1CCCC1
InChIInChI=1S/C21H21N3O4S/c25-29(26,24-9-1-2-10-24)17-5-6-18-15(13-17)3-8-21(23-18)22-16-4-7-19-20(14-16)28-12-11-27-19/h3-8,13-14H,1-2,9-12H2,(H,22,23)
InChIKeyYYVPZUUUKXPBOW-UHFFFAOYSA-N
XLogP3.53
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283400
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 28590362
N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759685
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2704625
3-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 1202069
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 27151827
4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine
CID 50806743
N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 50806744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1248006
N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
CID 62143884
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385878

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine (CID 46283426) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine is O=S(=O)(c1ccc2nc(Nc3ccc4c(c3)OCCO4)ccc2c1)N1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The InChIKey is YYVPZUUUKXPBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c25-29(26,24-9-1-2-10-24)17-5-6-18-15(13-17)3-8-21(23-18)22-16-4-7-19-20(14-16)28-12-11-27-19/h3-8,13-14H,1-2,9-12H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine has a molecular weight of 411.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine is sourced from PubChem (CID 46283426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).