2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine

C24H29N3O2S — CID 133405160

IUPAC2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine
SMILESCCc1cc(NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C24H29N3O2S/c1-3-18-17-24(22-7-5-6-8-23(22)25-18)26-19-13-15-27(16-14-19)20-9-11-21(12-10-20)30(28,29)4-2/h5-12,17,19H,3-4,13-16H2,1-2H3,(H,25,26)
InChIKeyYEQNEBCQVQTGJV-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.67
Rot. Bonds6

About 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine

2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine (PubChem CID 133405160) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine
PubChem CID133405160
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine
SMILESCCc1cc(NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C24H29N3O2S/c1-3-18-17-24(22-7-5-6-8-23(22)25-18)26-19-13-15-27(16-14-19)20-9-11-21(12-10-20)30(28,29)4-2/h5-12,17,19H,3-4,13-16H2,1-2H3,(H,25,26)
InChIKeyYEQNEBCQVQTGJV-UHFFFAOYSA-N
XLogP4.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133402276
[1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 133400586
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 154836519
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine
CID 133469107
2-methyl-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 71899433
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine
CID 133336114
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940
N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166976
5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 60602914
bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
CID 51099314
4-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]quinoline-2-carbonitrile
CID 133319418

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine?
The IUPAC name of 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine (CID 133405160) is 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine.
What is the SMILES notation for 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine?
The canonical SMILES for 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine is CCc1cc(NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine?
The InChIKey is YEQNEBCQVQTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-3-18-17-24(22-7-5-6-8-23(22)25-18)26-19-13-15-27(16-14-19)20-9-11-21(12-10-20)30(28,29)4-2/h5-12,17,19H,3-4,13-16H2,1-2H3,(H,25,26).
What are the key properties of 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine?
2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine has a molecular weight of 423.58 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine is sourced from PubChem (CID 133405160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).