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

C21H28ClN3O3S — CID 71462617

IUPACN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC1CCNCC1.Cl
InChIInChI=1S/C21H27N3O3S.ClH/c1-27-21-9-8-18(15-19(21)23-17-10-12-22-13-11-17)28(25,26)24-14-4-6-16-5-2-3-7-20(16)24;/h2-3,5,7-9,15,17,22-23H,4,6,10-14H2,1H3;1H
InChIKeyCSUSRDHVGXFZQV-UHFFFAOYSA-N
MW437.99 g/mol
LogP3.42
Rot. Bonds5

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

N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride (PubChem CID 71462617) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride
PubChem CID71462617
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC NameN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC1CCNCC1.Cl
InChIInChI=1S/C21H27N3O3S.ClH/c1-27-21-9-8-18(15-19(21)23-17-10-12-22-13-11-17)28(25,26)24-14-4-6-16-5-2-3-7-20(16)24;/h2-3,5,7-9,15,17,22-23H,4,6,10-14H2,1H3;1H
InChIKeyCSUSRDHVGXFZQV-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride (CID 71462617) is N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride is COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC1CCNCC1.Cl.
What is the InChIKey of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The InChIKey is CSUSRDHVGXFZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S.ClH/c1-27-21-9-8-18(15-19(21)23-17-10-12-22-13-11-17)28(25,26)24-14-4-6-16-5-2-3-7-20(16)24;/h2-3,5,7-9,15,17,22-23H,4,6,10-14H2,1H3;1H.
What are the key properties of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride has a molecular weight of 437.99 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 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]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 71462617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).