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

C21H23ClN2O — CID 151386101

IUPAC4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
SMILESCC(C)C[C@H](C)COc1cnc(-c2ccnc3ccccc23)cc1Cl
InChIInChI=1S/C21H23ClN2O/c1-14(2)10-15(3)13-25-21-12-24-20(11-18(21)22)17-8-9-23-19-7-5-4-6-16(17)19/h4-9,11-12,14-15H,10,13H2,1-3H3/t15-/m0/s1
InChIKeyOTKZAWWUKAIBRG-HNNXBMFYSA-N
MW354.88 g/mol
LogP6.01
Rot. Bonds6

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

4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline (PubChem CID 151386101) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
PubChem CID151386101
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
SMILESCC(C)C[C@H](C)COc1cnc(-c2ccnc3ccccc23)cc1Cl
InChIInChI=1S/C21H23ClN2O/c1-14(2)10-15(3)13-25-21-12-24-20(11-18(21)22)17-8-9-23-19-7-5-4-6-16(17)19/h4-9,11-12,14-15H,10,13H2,1-3H3/t15-/m0/s1
InChIKeyOTKZAWWUKAIBRG-HNNXBMFYSA-N
XLogP6.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2S)-1-[(4-chloro-6-quinolin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118429910
6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline
CID 157136865
5-[[4-chloro-6-(6-chloroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420173
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
4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
CID 144940024
4-[3-chloro-4-(2,4-dimethylpentoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine
CID 145286186
[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420311
[4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate
CID 151831996
5-chloro-2-(2,4-dimethylpentoxy)benzoic acid
CID 114200018

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline?
The IUPAC name of 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline (CID 151386101) is 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline.
What is the SMILES notation for 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline?
The canonical SMILES for 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline is CC(C)C[C@H](C)COc1cnc(-c2ccnc3ccccc23)cc1Cl.
What is the InChIKey of 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline?
The InChIKey is OTKZAWWUKAIBRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-14(2)10-15(3)13-25-21-12-24-20(11-18(21)22)17-8-9-23-19-7-5-4-6-16(17)19/h4-9,11-12,14-15H,10,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline?
4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline has a molecular weight of 354.88 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline is sourced from PubChem (CID 151386101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).