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

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

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Related Compounds

4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
CID 144940024
4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
CID 151386101
5-[[4-chloro-6-(6-chloroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420173
[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420311
4-[4-chloro-5-(2,4-dimethylpentoxy)-2-pyridinyl]-7-(trifluoromethyl)quinoline
CID 144939963
4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
CID 118429692
4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine
CID 150370518
4-[3-chloro-4-(2,4-dimethylpentoxy)-5-fluorophenyl]quinoline
CID 158009232
5-chloro-2-(2,4-dimethylpentoxy)benzoic acid
CID 114200018
4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine
CID 145286257
tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine
CID 144940027
4-[3-chloro-4-(2,4-dimethylpentoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine
CID 145286186

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).