N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine

C22H25N3O4S — CID 50759679

IUPACN-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
SMILESCOc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1OC
InChIInChI=1S/C22H25N3O4S/c1-28-20-10-7-17(15-21(20)29-2)23-22-11-6-16-14-18(8-9-19(16)24-22)30(26,27)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,24)
InChIKeyIPQHWWDCIVXFEI-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.17
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine

N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine (PubChem CID 50759679) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
PubChem CID50759679
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
SMILESCOc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1OC
InChIInChI=1S/C22H25N3O4S/c1-28-20-10-7-17(15-21(20)29-2)23-22-11-6-16-14-18(8-9-19(16)24-22)30(26,27)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,24)
InChIKeyIPQHWWDCIVXFEI-UHFFFAOYSA-N
XLogP4.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283426
N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759706
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759685
N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283400
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine
CID 92887004
1-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 1296321
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 98296000
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine (CID 50759679) is N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine is COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine?
The InChIKey is IPQHWWDCIVXFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-28-20-10-7-17(15-21(20)29-2)23-22-11-6-16-14-18(8-9-19(16)24-22)30(26,27)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine?
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine has a molecular weight of 427.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine is sourced from PubChem (CID 50759679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).