methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate

C13H11Cl2NO4 — CID 102614449

IUPACmethyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(OC)cc(Cl)c(OC)c2c1Cl
InChIInChI=1S/C13H11Cl2NO4/c1-18-8-4-7(14)12(19-2)9-10(15)6(13(17)20-3)5-16-11(8)9/h4-5H,1-3H3
InChIKeyRZBMACBFTCISBX-UHFFFAOYSA-N
MW316.14 g/mol
LogP3.35
Rot. Bonds3

About methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate

methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate (PubChem CID 102614449) has the molecular formula C13H11Cl2NO4 and a molecular weight of 316.14 g/mol. Its IUPAC name is methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate
PubChem CID102614449
Molecular FormulaC13H11Cl2NO4
Molecular Weight316.14 g/mol
Exact Mass315.01
IUPAC Namemethyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(OC)cc(Cl)c(OC)c2c1Cl
InChIInChI=1S/C13H11Cl2NO4/c1-18-8-4-7(14)12(19-2)9-10(15)6(13(17)20-3)5-16-11(8)9/h4-5H,1-3H3
InChIKeyRZBMACBFTCISBX-UHFFFAOYSA-N
XLogP3.35
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid
CID 141084525
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
methyl 4,6-dichloro-5-phosphanylpyridine-3-carboxylate
CID 178139043
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
CID 107627758

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate (CID 102614449) is methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate is COC(=O)c1cnc2c(OC)cc(Cl)c(OC)c2c1Cl.
What is the InChIKey of methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate?
The InChIKey is RZBMACBFTCISBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4/c1-18-8-4-7(14)12(19-2)9-10(15)6(13(17)20-3)5-16-11(8)9/h4-5H,1-3H3.
What are the key properties of methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate?
methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate has a molecular weight of 316.14 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 102614449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).