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

C12H10ClNO2 — CID 102941507

IUPACmethyl 7-chloro-8-methylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(Cl)c(C)c2n1
InChIInChI=1S/C12H10ClNO2/c1-7-9(13)5-3-8-4-6-10(12(15)16-2)14-11(7)8/h3-6H,1-2H3
InChIKeyQSRQHTJOVIQQTH-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.98
Rot. Bonds1

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

methyl 7-chloro-8-methylquinoline-2-carboxylate (PubChem CID 102941507) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is methyl 7-chloro-8-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-8-methylquinoline-2-carboxylate
PubChem CID102941507
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Namemethyl 7-chloro-8-methylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(Cl)c(C)c2n1
InChIInChI=1S/C12H10ClNO2/c1-7-9(13)5-3-8-4-6-10(12(15)16-2)14-11(7)8/h3-6H,1-2H3
InChIKeyQSRQHTJOVIQQTH-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

methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 6-chloro-8-iodoquinoline-2-carboxylate
CID 107629381
methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate
CID 18950577
methyl 8-sulfanylquinoline-2-carboxylate
CID 13378243
methyl 8-acetamidoquinoline-2-carboxylate
CID 139830366
methyl 6-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CID 82250624
methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636682
methyl 5,6-bis(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylate
CID 134635394
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-8-methylquinoline-2-carboxylate?
The IUPAC name of methyl 7-chloro-8-methylquinoline-2-carboxylate (CID 102941507) is methyl 7-chloro-8-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-8-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 7-chloro-8-methylquinoline-2-carboxylate is COC(=O)c1ccc2ccc(Cl)c(C)c2n1.
What is the InChIKey of methyl 7-chloro-8-methylquinoline-2-carboxylate?
The InChIKey is QSRQHTJOVIQQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-9(13)5-3-8-4-6-10(12(15)16-2)14-11(7)8/h3-6H,1-2H3.
What are the key properties of methyl 7-chloro-8-methylquinoline-2-carboxylate?
methyl 7-chloro-8-methylquinoline-2-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-8-methylquinoline-2-carboxylate is sourced from PubChem (CID 102941507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).