methyl 2-methoxy-8-methylquinoline-5-carboxylate

C13H13NO3 — CID 86241626

IUPACmethyl 2-methoxy-8-methylquinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C)c2nc(OC)ccc12
InChIInChI=1S/C13H13NO3/c1-8-4-5-10(13(15)17-3)9-6-7-11(16-2)14-12(8)9/h4-7H,1-3H3
InChIKeySMKDJVLRMFYZDH-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.34
Rot. Bonds2

About methyl 2-methoxy-8-methylquinoline-5-carboxylate

methyl 2-methoxy-8-methylquinoline-5-carboxylate (PubChem CID 86241626) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-methoxy-8-methylquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-8-methylquinoline-5-carboxylate
PubChem CID86241626
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namemethyl 2-methoxy-8-methylquinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C)c2nc(OC)ccc12
InChIInChI=1S/C13H13NO3/c1-8-4-5-10(13(15)17-3)9-6-7-11(16-2)14-12(8)9/h4-7H,1-3H3
InChIKeySMKDJVLRMFYZDH-UHFFFAOYSA-N
XLogP2.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-8-methylquinoline-5-carboxylate?
The IUPAC name of methyl 2-methoxy-8-methylquinoline-5-carboxylate (CID 86241626) is methyl 2-methoxy-8-methylquinoline-5-carboxylate.
What is the SMILES notation for methyl 2-methoxy-8-methylquinoline-5-carboxylate?
The canonical SMILES for methyl 2-methoxy-8-methylquinoline-5-carboxylate is COC(=O)c1ccc(C)c2nc(OC)ccc12.
What is the InChIKey of methyl 2-methoxy-8-methylquinoline-5-carboxylate?
The InChIKey is SMKDJVLRMFYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-4-5-10(13(15)17-3)9-6-7-11(16-2)14-12(8)9/h4-7H,1-3H3.
What are the key properties of methyl 2-methoxy-8-methylquinoline-5-carboxylate?
methyl 2-methoxy-8-methylquinoline-5-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-8-methylquinoline-5-carboxylate is sourced from PubChem (CID 86241626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).