8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline

C20H23ClN4 — CID 72919508

IUPAC8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
SMILESCC(C)n1ccnc1C1CCCN(c2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C20H23ClN4/c1-14(2)25-12-10-22-20(25)16-6-4-11-24(13-16)18-9-8-15-5-3-7-17(21)19(15)23-18/h3,5,7-10,12,14,16H,4,6,11,13H2,1-2H3
InChIKeyVHHBGJYOYSIKFE-UHFFFAOYSA-N
MW354.89 g/mol
LogP5.05
Rot. Bonds3

About 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline

8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline (PubChem CID 72919508) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
PubChem CID72919508
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
SMILESCC(C)n1ccnc1C1CCCN(c2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C20H23ClN4/c1-14(2)25-12-10-22-20(25)16-6-4-11-24(13-16)18-9-8-15-5-3-7-17(21)19(15)23-18/h3,5,7-10,12,14,16H,4,6,11,13H2,1-2H3
InChIKeyVHHBGJYOYSIKFE-UHFFFAOYSA-N
XLogP5.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.89
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 97192607
3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine
CID 97195094
N,N-dimethyl-6-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
CID 72864312
2-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 97187298
(2-chloro-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97198650
2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97131130
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72919107
(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97199633
2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97207632
(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423
(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97201985

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The IUPAC name of 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline (CID 72919508) is 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline is CC(C)n1ccnc1C1CCCN(c2ccc3cccc(Cl)c3n2)C1.
What is the InChIKey of 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The InChIKey is VHHBGJYOYSIKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-14(2)25-12-10-22-20(25)16-6-4-11-24(13-16)18-9-8-15-5-3-7-17(21)19(15)23-18/h3,5,7-10,12,14,16H,4,6,11,13H2,1-2H3.
What are the key properties of 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline has a molecular weight of 354.89 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 72919508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).