methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate

C18H14ClNO3 — CID 53112962

IUPACmethyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H14ClNO3/c1-22-18(21)16-10-17(14-7-2-3-8-15(14)20-16)23-11-12-5-4-6-13(19)9-12/h2-10H,11H2,1H3
InChIKeyXEMJKYHPHZWMQI-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.25
Rot. Bonds4

About methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate

methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate (PubChem CID 53112962) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
PubChem CID53112962
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Namemethyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H14ClNO3/c1-22-18(21)16-10-17(14-7-2-3-8-15(14)20-16)23-11-12-5-4-6-13(19)9-12/h2-10H,11H2,1H3
InChIKeyXEMJKYHPHZWMQI-UHFFFAOYSA-N
XLogP4.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
CID 65126437
methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53112967
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
[5-[(3-chlorophenyl)methoxy]-2-methoxycarbonyl-4-pyridinyl]boronic acid
CID 131745601
methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate
CID 157317010
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113151
methyl 4-[2-(3-chloroanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53002397

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate (CID 53112962) is methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate?
The InChIKey is XEMJKYHPHZWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-22-18(21)16-10-17(14-7-2-3-8-15(14)20-16)23-11-12-5-4-6-13(19)9-12/h2-10H,11H2,1H3.
What are the key properties of methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate?
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53112962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).