methyl 3-chloro-4-methylquinoline-6-carboxylate

C12H10ClNO2 — CID 67961110

IUPACmethyl 3-chloro-4-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(C)c2c1
InChIInChI=1S/C12H10ClNO2/c1-7-9-5-8(12(15)16-2)3-4-11(9)14-6-10(7)13/h3-6H,1-2H3
InChIKeyOOGFHKJDYCJNLB-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.98
Rot. Bonds1

About methyl 3-chloro-4-methylquinoline-6-carboxylate

methyl 3-chloro-4-methylquinoline-6-carboxylate (PubChem CID 67961110) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is methyl 3-chloro-4-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-4-methylquinoline-6-carboxylate
PubChem CID67961110
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Namemethyl 3-chloro-4-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(C)c2c1
InChIInChI=1S/C12H10ClNO2/c1-7-9-5-8(12(15)16-2)3-4-11(9)14-6-10(7)13/h3-6H,1-2H3
InChIKeyOOGFHKJDYCJNLB-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 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
CID 67775458
methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate
CID 67961180
methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961149
methyl 1-amino-4-chloroisoquinoline-6-carboxylate
CID 118660585
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate
CID 67961008
methyl 4-chloro-1-(2,3-difluoro-6-methylphenyl)isoquinoline-7-carboxylate
CID 67961581
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
CID 67961079

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-methylquinoline-6-carboxylate?
The IUPAC name of methyl 3-chloro-4-methylquinoline-6-carboxylate (CID 67961110) is methyl 3-chloro-4-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 3-chloro-4-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 3-chloro-4-methylquinoline-6-carboxylate is COC(=O)c1ccc2ncc(Cl)c(C)c2c1.
What is the InChIKey of methyl 3-chloro-4-methylquinoline-6-carboxylate?
The InChIKey is OOGFHKJDYCJNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-9-5-8(12(15)16-2)3-4-11(9)14-6-10(7)13/h3-6H,1-2H3.
What are the key properties of methyl 3-chloro-4-methylquinoline-6-carboxylate?
methyl 3-chloro-4-methylquinoline-6-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 3-chloro-4-methylquinoline-6-carboxylate is sourced from PubChem (CID 67961110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).