acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline

C23H30N4O4 — CID 154921481

IUPACacetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline
SMILESCC(=O)O.CC(=O)O.CC[C@H]1C[C@@H](n2ccnc2-c2ccc3ncccc3c2)CCN1
InChIInChI=1S/C19H22N4.2C2H4O2/c1-2-16-13-17(7-9-20-16)23-11-10-22-19(23)15-5-6-18-14(12-15)4-3-8-21-18;2*1-2(3)4/h3-6,8,10-12,16-17,20H,2,7,9,13H2,1H3;2*1H3,(H,3,4)/t16-,17-;;/m0../s1
InChIKeyQFIFGVSNXIDNLA-SZKOKKDDSA-N
MW426.52 g/mol
LogP3.98
Rot. Bonds3

About acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline

acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline (PubChem CID 154921481) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Nameacetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline
PubChem CID154921481
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nameacetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline
SMILESCC(=O)O.CC(=O)O.CC[C@H]1C[C@@H](n2ccnc2-c2ccc3ncccc3c2)CCN1
InChIInChI=1S/C19H22N4.2C2H4O2/c1-2-16-13-17(7-9-20-16)23-11-10-22-19(23)15-5-6-18-14(12-15)4-3-8-21-18;2*1-2(3)4/h3-6,8,10-12,16-17,20H,2,7,9,13H2,1H3;2*1H3,(H,3,4)/t16-,17-;;/m0../s1
InChIKeyQFIFGVSNXIDNLA-SZKOKKDDSA-N
XLogP3.98
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;N-ethyl-N-[[5-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methoxyphenyl]methyl]ethanamine
CID 163333561
acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline
CID 154922638
(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine
CID 154566736
(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride
CID 154923336
(2R,4R)-2-ethyl-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 154567649
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
CID 146046104
(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine
CID 154817045
4-(2-naphthalen-2-ylimidazol-1-yl)piperidine
CID 68729306
acetic acid;6-pyrrolidin-2-ylquinoline
CID 16740812
3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride
CID 154921300
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
1-methyl-2-quinolin-6-ylimidazol-4-ol
CID 106952318

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline?
The IUPAC name of acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline (CID 154921481) is acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline.
What is the SMILES notation for acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline?
The canonical SMILES for acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline is CC(=O)O.CC(=O)O.CC[C@H]1C[C@@H](n2ccnc2-c2ccc3ncccc3c2)CCN1.
What is the InChIKey of acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline?
The InChIKey is QFIFGVSNXIDNLA-SZKOKKDDSA-N. The full InChI is InChI=1S/C19H22N4.2C2H4O2/c1-2-16-13-17(7-9-20-16)23-11-10-22-19(23)15-5-6-18-14(12-15)4-3-8-21-18;2*1-2(3)4/h3-6,8,10-12,16-17,20H,2,7,9,13H2,1H3;2*1H3,(H,3,4)/t16-,17-;;/m0../s1.
What are the key properties of acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline?
acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline has a molecular weight of 426.52 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline is sourced from PubChem (CID 154921481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).