2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline

C21H26N4S — CID 97128222

IUPAC2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline
SMILESCCn1ccnc1[C@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1
InChIInChI=1S/C21H26N4S/c1-4-24-11-9-22-21(24)16-6-5-10-25(14-16)20-12-15(2)18-13-17(26-3)7-8-19(18)23-20/h7-9,11-13,16H,4-6,10,14H2,1-3H3/t16-/m0/s1
InChIKeyWILMWOHAZLLVSJ-INIZCTEOSA-N
MW366.53 g/mol
LogP4.87
Rot. Bonds4

About 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline

2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline (PubChem CID 97128222) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline.

Molecular Properties

Compound Name2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline
PubChem CID97128222
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline
SMILESCCn1ccnc1[C@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1
InChIInChI=1S/C21H26N4S/c1-4-24-11-9-22-21(24)16-6-5-10-25(14-16)20-12-15(2)18-13-17(26-3)7-8-19(18)23-20/h7-9,11-13,16H,4-6,10,14H2,1-3H3/t16-/m0/s1
InChIKeyWILMWOHAZLLVSJ-INIZCTEOSA-N
XLogP4.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448
2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline
CID 72878008
4-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pyridine
CID 97153303
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 97134586
(3R)-3-(1-ethylimidazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 97121117
2-methylsulfanyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97271296
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
CID 97155887
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 96575726

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline?
The IUPAC name of 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline (CID 97128222) is 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline.
What is the SMILES notation for 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline?
The canonical SMILES for 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline is CCn1ccnc1[C@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1.
What is the InChIKey of 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline?
The InChIKey is WILMWOHAZLLVSJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4S/c1-4-24-11-9-22-21(24)16-6-5-10-25(14-16)20-12-15(2)18-13-17(26-3)7-8-19(18)23-20/h7-9,11-13,16H,4-6,10,14H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline?
2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline has a molecular weight of 366.53 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline is sourced from PubChem (CID 97128222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).