N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine

C22H29N3O3S — CID 71457214

IUPACN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C22H29N3O3S/c1-24-14-11-18(12-15-24)23-20-16-19(9-10-22(20)28-2)29(26,27)25-13-5-7-17-6-3-4-8-21(17)25/h3-4,6,8-10,16,18,23H,5,7,11-15H2,1-2H3
InChIKeyAIHLITTWPJSLHJ-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.34
Rot. Bonds5

About N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine

N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine (PubChem CID 71457214) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
PubChem CID71457214
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C22H29N3O3S/c1-24-14-11-18(12-15-24)23-20-16-19(9-10-22(20)28-2)29(26,27)25-13-5-7-17-6-3-4-8-21(17)25/h3-4,6,8-10,16,18,23H,5,7,11-15H2,1-2H3
InChIKeyAIHLITTWPJSLHJ-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Iodo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,3-dihydroindole
CID 10413595
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
7-bromo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 17940125
5,8-dichloro-2-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 17940169
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
4-(2-Fluorophenyl)sulfonyl-6-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 17960999
5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 18354548
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 118464995
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465011
N-[2-(4-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465023
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 118465171

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine (CID 71457214) is N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine is COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC1CCN(C)CC1.
What is the InChIKey of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The InChIKey is AIHLITTWPJSLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-24-14-11-18(12-15-24)23-20-16-19(9-10-22(20)28-2)29(26,27)25-13-5-7-17-6-3-4-8-21(17)25/h3-4,6,8-10,16,18,23H,5,7,11-15H2,1-2H3.
What are the key properties of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine?
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine has a molecular weight of 415.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 71457214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).