6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline

C22H25ClN2O — CID 157136865

IUPAC6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline
SMILESCc1cc(-c2ccnc3ccc(Cl)cc23)ncc1OC[C@@H](C)CC(C)C
InChIInChI=1S/C22H25ClN2O/c1-14(2)9-15(3)13-26-22-12-25-21(10-16(22)4)18-7-8-24-20-6-5-17(23)11-19(18)20/h5-8,10-12,14-15H,9,13H2,1-4H3/t15-/m0/s1
InChIKeyAJSLVQIEQUXUSM-HNNXBMFYSA-N
MW368.91 g/mol
LogP6.32
Rot. Bonds6

About 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline

6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline (PubChem CID 157136865) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline.

Molecular Properties

Compound Name6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline
PubChem CID157136865
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline
SMILESCc1cc(-c2ccnc3ccc(Cl)cc23)ncc1OC[C@@H](C)CC(C)C
InChIInChI=1S/C22H25ClN2O/c1-14(2)9-15(3)13-26-22-12-25-21(10-16(22)4)18-7-8-24-20-6-5-17(23)11-19(18)20/h5-8,10-12,14-15H,9,13H2,1-4H3/t15-/m0/s1
InChIKeyAJSLVQIEQUXUSM-HNNXBMFYSA-N
XLogP6.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline?
The IUPAC name of 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline (CID 157136865) is 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline.
What is the SMILES notation for 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline?
The canonical SMILES for 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline is Cc1cc(-c2ccnc3ccc(Cl)cc23)ncc1OC[C@@H](C)CC(C)C.
What is the InChIKey of 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline?
The InChIKey is AJSLVQIEQUXUSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-14(2)9-15(3)13-26-22-12-25-21(10-16(22)4)18-7-8-24-20-6-5-17(23)11-19(18)20/h5-8,10-12,14-15H,9,13H2,1-4H3/t15-/m0/s1.
What are the key properties of 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline?
6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline has a molecular weight of 368.91 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline is sourced from PubChem (CID 157136865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).