[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone

C22H26N4O — CID 72843426

IUPAC[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2ccnc3ccccc23)C1
InChIInChI=1S/C22H26N4O/c1-2-3-13-25-15-12-24-21(25)17-7-6-14-26(16-17)22(27)19-10-11-23-20-9-5-4-8-18(19)20/h4-5,8-12,15,17H,2-3,6-7,13-14,16H2,1H3
InChIKeyKOQHLHFHKUVAJK-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.25
Rot. Bonds5

About [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone

[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone (PubChem CID 72843426) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
PubChem CID72843426
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2ccnc3ccccc23)C1
InChIInChI=1S/C22H26N4O/c1-2-3-13-25-15-12-24-21(25)17-7-6-14-26(16-17)22(27)19-10-11-23-20-9-5-4-8-18(19)20/h4-5,8-12,15,17H,2-3,6-7,13-14,16H2,1H3
InChIKeyKOQHLHFHKUVAJK-UHFFFAOYSA-N
XLogP4.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 97200368
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97195512
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 72930897
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 97191139
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 72889190
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 97200732

Frequently Asked Questions

What is the IUPAC name of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone?
The IUPAC name of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone (CID 72843426) is [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone is CCCCn1ccnc1C1CCCN(C(=O)c2ccnc3ccccc23)C1.
What is the InChIKey of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone?
The InChIKey is KOQHLHFHKUVAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-3-13-25-15-12-24-21(25)17-7-6-14-26(16-17)22(27)19-10-11-23-20-9-5-4-8-18(19)20/h4-5,8-12,15,17H,2-3,6-7,13-14,16H2,1H3.
What are the key properties of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone?
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone has a molecular weight of 362.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 72843426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).