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

C21H23ClN2O — CID 118429692

IUPAC4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
SMILESCC(C)C[C@@H](C)COc1ccc(-c2ccnc3ccccc23)nc1Cl
InChIInChI=1S/C21H23ClN2O/c1-14(2)12-15(3)13-25-20-9-8-19(24-21(20)22)17-10-11-23-18-7-5-4-6-16(17)18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyIDNBPHLKIVXSLB-OAHLLOKOSA-N
MW354.88 g/mol
LogP6.01
Rot. Bonds6

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

4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline (PubChem CID 118429692) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
PubChem CID118429692
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
SMILESCC(C)C[C@@H](C)COc1ccc(-c2ccnc3ccccc23)nc1Cl
InChIInChI=1S/C21H23ClN2O/c1-14(2)12-15(3)13-25-20-9-8-19(24-21(20)22)17-10-11-23-18-7-5-4-6-16(17)18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyIDNBPHLKIVXSLB-OAHLLOKOSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
CID 151386101
4-[3-chloro-4-(2,4-dimethylpentoxy)-5-fluorophenyl]quinoline
CID 158009232
6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline
CID 157136865
4-[4-chloro-5-(2,4-dimethylpentoxy)-2-pyridinyl]-7-(trifluoromethyl)quinoline
CID 144939963
(2S)-2,4-dimethyl-1-[(2-methyl-6-quinolin-4-yl-3-pyridinyl)oxy]pentan-2-amine
CID 118429691
(2S)-1-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
CID 144940024
5-chloro-2-(2,4-dimethylpentoxy)benzoic acid
CID 114200018
(2S)-1-[(4-chloro-6-quinolin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118429910
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
4-[3-chloro-4-(2,4-dimethylpentoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine
CID 145286186
6-(2-chloro-4-pyridinyl)-2-(difluoromethyl)-3-(2,4-dimethylpentoxy)pyridine
CID 144939984

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline?
The IUPAC name of 4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline (CID 118429692) is 4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline.
What is the SMILES notation for 4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline?
The canonical SMILES for 4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline is CC(C)C[C@@H](C)COc1ccc(-c2ccnc3ccccc23)nc1Cl.
What is the InChIKey of 4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline?
The InChIKey is IDNBPHLKIVXSLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-14(2)12-15(3)13-25-20-9-8-19(24-21(20)22)17-10-11-23-18-7-5-4-6-16(17)18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline?
4-[6-chloro-5-[(2R)-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-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline is sourced from PubChem (CID 118429692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).