methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate

C13H12ClNO3 — CID 114250699

IUPACmethyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2ccc(C)c(Cl)c2n1
InChIInChI=1S/C13H12ClNO3/c1-7-4-5-8-10(17-2)6-9(13(16)18-3)15-12(8)11(7)14/h4-6H,1-3H3
InChIKeyDFLFXGZKVXPIDV-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.99
Rot. Bonds2

About methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate

methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate (PubChem CID 114250699) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
PubChem CID114250699
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Namemethyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2ccc(C)c(Cl)c2n1
InChIInChI=1S/C13H12ClNO3/c1-7-4-5-8-10(17-2)6-9(13(16)18-3)15-12(8)11(7)14/h4-6H,1-3H3
InChIKeyDFLFXGZKVXPIDV-UHFFFAOYSA-N
XLogP2.99
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942117
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
CID 82574609
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate
CID 39401121
methyl 4,5,8-trichloro-6-methylquinoline-2-carboxylate
CID 113445998

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate?
The IUPAC name of methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate (CID 114250699) is methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate is COC(=O)c1cc(OC)c2ccc(C)c(Cl)c2n1.
What is the InChIKey of methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate?
The InChIKey is DFLFXGZKVXPIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-7-4-5-8-10(17-2)6-9(13(16)18-3)15-12(8)11(7)14/h4-6H,1-3H3.
What are the key properties of methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate?
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate is sourced from PubChem (CID 114250699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).