N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine

C22H25N3O3S — CID 92887004

IUPACN-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine
SMILESCOc1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)c1
InChIInChI=1S/C22H25N3O3S/c1-16-6-3-4-13-25(16)29(26,27)20-10-11-21-17(14-20)9-12-22(24-21)23-18-7-5-8-19(15-18)28-2/h5,7-12,14-16H,3-4,6,13H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeySEEVJVSHXKPFGD-MRXNPFEDSA-N
MW411.53 g/mol
LogP4.55
Rot. Bonds5

About N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine

N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine (PubChem CID 92887004) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine
PubChem CID92887004
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine
SMILESCOc1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)c1
InChIInChI=1S/C22H25N3O3S/c1-16-6-3-4-13-25(16)29(26,27)20-10-11-21-17(14-20)9-12-22(24-21)23-18-7-5-8-19(15-18)28-2/h5,7-12,14-16H,3-4,6,13H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeySEEVJVSHXKPFGD-MRXNPFEDSA-N
XLogP4.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinolin-2-yl]amino]benzoate
CID 92887011
ethyl 3-[[6-(2-methylpiperidin-1-yl)sulfonylquinolin-2-yl]amino]benzoate
CID 50760420
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
CID 92887045
2-(azepan-1-yl)-6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92864402
2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 46283450
6-(2-methylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 62162789
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 50760442
2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92887015
N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759685
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine (CID 92887004) is N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine is COc1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine?
The InChIKey is SEEVJVSHXKPFGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-6-3-4-13-25(16)29(26,27)20-10-11-21-17(14-20)9-12-22(24-21)23-18-7-5-8-19(15-18)28-2/h5,7-12,14-16H,3-4,6,13H2,1-2H3,(H,23,24)/t16-/m1/s1.
What are the key properties of N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine?
N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine has a molecular weight of 411.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine is sourced from PubChem (CID 92887004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).