ethyl 6-methoxy-2-methylquinoline-3-carboxylate

C14H15NO3 — CID 618636

IUPACethyl 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)ccc2nc1C
InChIInChI=1S/C14H15NO3/c1-4-18-14(16)12-8-10-7-11(17-3)5-6-13(10)15-9(12)2/h5-8H,4H2,1-3H3
InChIKeyDOOZEQYEQPQCGX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.73
Rot. Bonds3

About ethyl 6-methoxy-2-methylquinoline-3-carboxylate

ethyl 6-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 618636) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 6-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-2-methylquinoline-3-carboxylate
PubChem CID618636
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)ccc2nc1C
InChIInChI=1S/C14H15NO3/c1-4-18-14(16)12-8-10-7-11(17-3)5-6-13(10)15-9(12)2/h5-8H,4H2,1-3H3
InChIKeyDOOZEQYEQPQCGX-UHFFFAOYSA-N
XLogP2.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-2-methylquinoline-3-carboxylate (CID 618636) is ethyl 6-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-2-methylquinoline-3-carboxylate is CCOC(=O)c1cc2cc(OC)ccc2nc1C.
What is the InChIKey of ethyl 6-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is DOOZEQYEQPQCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-18-14(16)12-8-10-7-11(17-3)5-6-13(10)15-9(12)2/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 6-methoxy-2-methylquinoline-3-carboxylate?
ethyl 6-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 618636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).