N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine

C22H25N3O3S — CID 50759706

IUPACN-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
SMILESCOc1ccccc1CNc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2n1
InChIInChI=1S/C22H25N3O3S/c1-28-21-8-4-3-7-18(21)16-23-22-12-9-17-15-19(10-11-20(17)24-22)29(26,27)25-13-5-2-6-14-25/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,23,24)
InChIKeyACNDWKJAIVKZII-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.03
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine

N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine (PubChem CID 50759706) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
PubChem CID50759706
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
SMILESCOc1ccccc1CNc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2n1
InChIInChI=1S/C22H25N3O3S/c1-28-21-8-4-3-7-18(21)16-23-22-12-9-17-15-19(10-11-20(17)24-22)29(26,27)25-13-5-2-6-14-25/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,23,24)
InChIKeyACNDWKJAIVKZII-UHFFFAOYSA-N
XLogP4.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 50806744
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile
CID 68577120
2-bromo-N-[(2-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26734286
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2636856
(1S,4S)-N-[2-[(2-methoxyphenyl)methylamino]quinolin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide
CID 90770722
(2S)-N-[(2-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 92706434
(2R)-N-[(2-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 92706435
N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283400
5-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-methoxybenzamide
CID 30380560
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068896
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759655

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine (CID 50759706) is N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine is COc1ccccc1CNc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine?
The InChIKey is ACNDWKJAIVKZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-28-21-8-4-3-7-18(21)16-23-22-12-9-17-15-19(10-11-20(17)24-22)29(26,27)25-13-5-2-6-14-25/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,23,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine?
N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine has a molecular weight of 411.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine is sourced from PubChem (CID 50759706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).