methyl 7-chloro-3-methylquinoline-8-carboxylate

C12H10ClNO2 — CID 21278643

IUPACmethyl 7-chloro-3-methylquinoline-8-carboxylate
SMILESCOC(=O)c1c(Cl)ccc2cc(C)cnc12
InChIInChI=1S/C12H10ClNO2/c1-7-5-8-3-4-9(13)10(12(15)16-2)11(8)14-6-7/h3-6H,1-2H3
InChIKeyANDJNURFPTXAEU-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.98
Rot. Bonds1

About methyl 7-chloro-3-methylquinoline-8-carboxylate

methyl 7-chloro-3-methylquinoline-8-carboxylate (PubChem CID 21278643) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is methyl 7-chloro-3-methylquinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-3-methylquinoline-8-carboxylate
PubChem CID21278643
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Namemethyl 7-chloro-3-methylquinoline-8-carboxylate
SMILESCOC(=O)c1c(Cl)ccc2cc(C)cnc12
InChIInChI=1S/C12H10ClNO2/c1-7-5-8-3-4-9(13)10(12(15)16-2)11(8)14-6-7/h3-6H,1-2H3
InChIKeyANDJNURFPTXAEU-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-3-methylquinolin-8-yl)ethanone;ethane
CID 145100287
7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride
CID 174825342
(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate
CID 66867776
3,8-dimethyl-1,10-phenanthroline
CID 159392628
3,7-dichloroquinoline-8-carbonyl chloride
CID 13090840
methyl 8-cyano-3-methylquinoline-6-carboxylate
CID 15965451
7-chloro-3-methylquinoline-8-carboxylic acid;5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
CID 137481730
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid;7-chloro-3-methylquinoline-8-carboxylic acid
CID 137481736
methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
CID 116647598
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 6-methylisoquinoline-3-carboxylate
CID 22243644
methyl 7-chloro-8-methylquinoline-2-carboxylate
CID 102941507

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-3-methylquinoline-8-carboxylate?
The IUPAC name of methyl 7-chloro-3-methylquinoline-8-carboxylate (CID 21278643) is methyl 7-chloro-3-methylquinoline-8-carboxylate.
What is the SMILES notation for methyl 7-chloro-3-methylquinoline-8-carboxylate?
The canonical SMILES for methyl 7-chloro-3-methylquinoline-8-carboxylate is COC(=O)c1c(Cl)ccc2cc(C)cnc12.
What is the InChIKey of methyl 7-chloro-3-methylquinoline-8-carboxylate?
The InChIKey is ANDJNURFPTXAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-5-8-3-4-9(13)10(12(15)16-2)11(8)14-6-7/h3-6H,1-2H3.
What are the key properties of methyl 7-chloro-3-methylquinoline-8-carboxylate?
methyl 7-chloro-3-methylquinoline-8-carboxylate has a molecular weight of 235.67 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-3-methylquinoline-8-carboxylate is sourced from PubChem (CID 21278643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).