8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline

C16H14ClN3O — CID 80656920

IUPAC8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
SMILESCc1cc(Cl)nc(COc2cccc3ccc(C)nc23)n1
InChIInChI=1S/C16H14ClN3O/c1-10-6-7-12-4-3-5-13(16(12)19-10)21-9-15-18-11(2)8-14(17)20-15/h3-8H,9H2,1-2H3
InChIKeySDLHOKXSNLUWCO-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.87
Rot. Bonds3

About 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline

8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline (PubChem CID 80656920) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
PubChem CID80656920
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
SMILESCc1cc(Cl)nc(COc2cccc3ccc(C)nc23)n1
InChIInChI=1S/C16H14ClN3O/c1-10-6-7-12-4-3-5-13(16(12)19-10)21-9-15-18-11(2)8-14(17)20-15/h3-8H,9H2,1-2H3
InChIKeySDLHOKXSNLUWCO-UHFFFAOYSA-N
XLogP3.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
2-[(4-tert-butyl-2-methylphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 80656918
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 83140307
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 43352151
8-[2-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
CID 22113140
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
CID 80664031

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline?
The IUPAC name of 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline (CID 80656920) is 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline.
What is the SMILES notation for 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline?
The canonical SMILES for 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline is Cc1cc(Cl)nc(COc2cccc3ccc(C)nc23)n1.
What is the InChIKey of 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline?
The InChIKey is SDLHOKXSNLUWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-6-7-12-4-3-5-13(16(12)19-10)21-9-15-18-11(2)8-14(17)20-15/h3-8H,9H2,1-2H3.
What are the key properties of 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline?
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline has a molecular weight of 299.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline is sourced from PubChem (CID 80656920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).