methyl 2-chloro-7-ethoxyquinoline-3-carboxylate

C13H12ClNO3 — CID 119054864

IUPACmethyl 2-chloro-7-ethoxyquinoline-3-carboxylate
SMILESCCOc1ccc2cc(C(=O)OC)c(Cl)nc2c1
InChIInChI=1S/C13H12ClNO3/c1-3-18-9-5-4-8-6-10(13(16)17-2)12(14)15-11(8)7-9/h4-7H,3H2,1-2H3
InChIKeyZUJSTLDOOFBCFM-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.07
Rot. Bonds3

About methyl 2-chloro-7-ethoxyquinoline-3-carboxylate

methyl 2-chloro-7-ethoxyquinoline-3-carboxylate (PubChem CID 119054864) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is methyl 2-chloro-7-ethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-7-ethoxyquinoline-3-carboxylate
PubChem CID119054864
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Namemethyl 2-chloro-7-ethoxyquinoline-3-carboxylate
SMILESCCOc1ccc2cc(C(=O)OC)c(Cl)nc2c1
InChIInChI=1S/C13H12ClNO3/c1-3-18-9-5-4-8-6-10(13(16)17-2)12(14)15-11(8)7-9/h4-7H,3H2,1-2H3
InChIKeyZUJSTLDOOFBCFM-UHFFFAOYSA-N
XLogP3.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
2-chloro-7-ethoxy-3-methylquinoline
CID 145082192
methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
CID 119054863
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 2-ethenyl-5-ethoxybenzoate
CID 45094065
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine
CID 170868054
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-7-ethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 2-chloro-7-ethoxyquinoline-3-carboxylate (CID 119054864) is methyl 2-chloro-7-ethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-7-ethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 2-chloro-7-ethoxyquinoline-3-carboxylate is CCOc1ccc2cc(C(=O)OC)c(Cl)nc2c1.
What is the InChIKey of methyl 2-chloro-7-ethoxyquinoline-3-carboxylate?
The InChIKey is ZUJSTLDOOFBCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-3-18-9-5-4-8-6-10(13(16)17-2)12(14)15-11(8)7-9/h4-7H,3H2,1-2H3.
What are the key properties of methyl 2-chloro-7-ethoxyquinoline-3-carboxylate?
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-7-ethoxyquinoline-3-carboxylate is sourced from PubChem (CID 119054864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).