methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate

C17H14N2O2 — CID 141467624

IUPACmethyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)c2cc(C)ccc2n1
InChIInChI=1S/C17H14N2O2/c1-11-6-7-15-12(9-11)13(14-5-3-4-8-18-14)10-16(19-15)17(20)21-2/h3-10H,1-2H3
InChIKeyOUWRMDDZYHRDPI-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.39
Rot. Bonds2

About methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate

methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate (PubChem CID 141467624) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate
PubChem CID141467624
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Namemethyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)c2cc(C)ccc2n1
InChIInChI=1S/C17H14N2O2/c1-11-6-7-15-12(9-11)13(14-5-3-4-8-18-14)10-16(19-15)17(20)21-2/h3-10H,1-2H3
InChIKeyOUWRMDDZYHRDPI-UHFFFAOYSA-N
XLogP3.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate
CID 141467629
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 1-(6-methyl-4-phenylquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 102528423
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303
methyl 5-methyl-3-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 71472796
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844
methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113265
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53043317

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate?
The IUPAC name of methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate (CID 141467624) is methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate?
The canonical SMILES for methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate is COC(=O)c1cc(-c2ccccn2)c2cc(C)ccc2n1.
What is the InChIKey of methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate?
The InChIKey is OUWRMDDZYHRDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-6-7-15-12(9-11)13(14-5-3-4-8-18-14)10-16(19-15)17(20)21-2/h3-10H,1-2H3.
What are the key properties of methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate?
methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate is sourced from PubChem (CID 141467624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).