methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate

C15H16ClNO4 — CID 119054850

IUPACmethyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
SMILESCCOc1cc2cc(C(=O)OC)c(Cl)nc2cc1OCC
InChIInChI=1S/C15H16ClNO4/c1-4-20-12-7-9-6-10(15(18)19-3)14(16)17-11(9)8-13(12)21-5-2/h6-8H,4-5H2,1-3H3
InChIKeyOHJYQNUOAJLRKT-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.47
Rot. Bonds5

About methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate

methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate (PubChem CID 119054850) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
PubChem CID119054850
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Namemethyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
SMILESCCOc1cc2cc(C(=O)OC)c(Cl)nc2cc1OCC
InChIInChI=1S/C15H16ClNO4/c1-4-20-12-7-9-6-10(15(18)19-3)14(16)17-11(9)8-13(12)21-5-2/h6-8H,4-5H2,1-3H3
InChIKeyOHJYQNUOAJLRKT-UHFFFAOYSA-N
XLogP3.47
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
2-amino-7-ethoxy-6-methoxyquinoline-3-carboxamide
CID 124804844
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
2-chloro-6-ethoxy-7-methoxyquinazoline
CID 141299474
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189
dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 15224775
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
dimethyl 1-(2-chloro-4-pyridinyl)-6-ethoxy-7-methoxynaphthalene-2,3-dicarboxylate
CID 10788729
methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
CID 119054863

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate (CID 119054850) is methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate is CCOc1cc2cc(C(=O)OC)c(Cl)nc2cc1OCC.
What is the InChIKey of methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate?
The InChIKey is OHJYQNUOAJLRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-4-20-12-7-9-6-10(15(18)19-3)14(16)17-11(9)8-13(12)21-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate?
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate has a molecular weight of 309.75 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate is sourced from PubChem (CID 119054850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).