4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline

C18H16ClNO2 — CID 162650785

IUPAC4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(OCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H16ClNO2/c1-12-8-18(22-11-13-4-3-5-14(19)9-13)16-10-15(21-2)6-7-17(16)20-12/h3-10H,11H2,1-2H3
InChIKeyFWYAXGKOBDZCEK-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.78
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline

4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline (PubChem CID 162650785) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline
PubChem CID162650785
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(OCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H16ClNO2/c1-12-8-18(22-11-13-4-3-5-14(19)9-13)16-10-15(21-2)6-7-17(16)20-12/h3-10H,11H2,1-2H3
InChIKeyFWYAXGKOBDZCEK-UHFFFAOYSA-N
XLogP4.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline (CID 162650785) is 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline is COc1ccc2nc(C)cc(OCc3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline?
The InChIKey is FWYAXGKOBDZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-12-8-18(22-11-13-4-3-5-14(19)9-13)16-10-15(21-2)6-7-17(16)20-12/h3-10H,11H2,1-2H3.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline?
4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline has a molecular weight of 313.78 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-6-methoxy-2-methylquinoline is sourced from PubChem (CID 162650785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).