8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline

C16H12Cl2N2O — CID 62886311

IUPAC8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCc3nc(Cl)ccc3Cl)c2n1
InChIInChI=1S/C16H12Cl2N2O/c1-10-5-6-11-3-2-4-14(16(11)19-10)21-9-13-12(17)7-8-15(18)20-13/h2-8H,9H2,1H3
InChIKeyNLLYANFCYKTBSV-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.82
Rot. Bonds3

About 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline

8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline (PubChem CID 62886311) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
PubChem CID62886311
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCc3nc(Cl)ccc3Cl)c2n1
InChIInChI=1S/C16H12Cl2N2O/c1-10-5-6-11-3-2-4-14(16(11)19-10)21-9-13-12(17)7-8-15(18)20-13/h2-8H,9H2,1H3
InChIKeyNLLYANFCYKTBSV-UHFFFAOYSA-N
XLogP4.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
CID 22113140
3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
CID 55127453
2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 69109880
8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
8-[(5-bromothiophen-2-yl)methoxy]-2-methylquinoline
CID 63457720
8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline
CID 104809806
2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
CID 67980760
8-[2-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353
N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
CID 18321969
CID 20665518
CID 20665518

Frequently Asked Questions

What is the IUPAC name of 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline?
The IUPAC name of 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline (CID 62886311) is 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline.
What is the SMILES notation for 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline?
The canonical SMILES for 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline is Cc1ccc2cccc(OCc3nc(Cl)ccc3Cl)c2n1.
What is the InChIKey of 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline?
The InChIKey is NLLYANFCYKTBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-10-5-6-11-3-2-4-14(16(11)19-10)21-9-13-12(17)7-8-15(18)20-13/h2-8H,9H2,1H3.
What are the key properties of 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline?
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline has a molecular weight of 319.19 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline is sourced from PubChem (CID 62886311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).