methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate

C18H14ClNO2 — CID 698741

IUPACmethyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H14ClNO2/c1-11-3-5-12(6-4-11)17-10-15(18(21)22-2)14-9-13(19)7-8-16(14)20-17/h3-10H,1-2H3
InChIKeySITVEWIJYCILLD-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.65
Rot. Bonds2

About methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate

methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 698741) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID698741
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Namemethyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H14ClNO2/c1-11-3-5-12(6-4-11)17-10-15(18(21)22-2)14-9-13(19)7-8-16(14)20-17/h3-10H,1-2H3
InChIKeySITVEWIJYCILLD-UHFFFAOYSA-N
XLogP4.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate (CID 698741) is methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is SITVEWIJYCILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-11-3-5-12(6-4-11)17-10-15(18(21)22-2)14-9-13(19)7-8-16(14)20-17/h3-10H,1-2H3.
What are the key properties of methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate?
methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 698741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).