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

C18H14ClNO3 — CID 885270

IUPACmethyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H14ClNO3/c1-22-13-6-3-11(4-7-13)17-10-15(18(21)23-2)14-9-12(19)5-8-16(14)20-17/h3-10H,1-2H3
InChIKeyCPMJNVKBLVPGNQ-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.35
Rot. Bonds3

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

methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 885270) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID885270
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Namemethyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H14ClNO3/c1-22-13-6-3-11(4-7-13)17-10-15(18(21)23-2)14-9-12(19)5-8-16(14)20-17/h3-10H,1-2H3
InChIKeyCPMJNVKBLVPGNQ-UHFFFAOYSA-N
XLogP4.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 885270) is methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is CPMJNVKBLVPGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-22-13-6-3-11(4-7-13)17-10-15(18(21)23-2)14-9-12(19)5-8-16(14)20-17/h3-10H,1-2H3.
What are the key properties of methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate?
methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 885270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).