ethyl 4-methoxy-2-methylquinoline-6-carboxylate

C14H15NO3 — CID 23877743

IUPACethyl 4-methoxy-2-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)cc(OC)c2c1
InChIInChI=1S/C14H15NO3/c1-4-18-14(16)10-5-6-12-11(8-10)13(17-3)7-9(2)15-12/h5-8H,4H2,1-3H3
InChIKeyDEEAJQFFVRXUFC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.73
Rot. Bonds3

About ethyl 4-methoxy-2-methylquinoline-6-carboxylate

ethyl 4-methoxy-2-methylquinoline-6-carboxylate (PubChem CID 23877743) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 4-methoxy-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-methylquinoline-6-carboxylate
PubChem CID23877743
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 4-methoxy-2-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)cc(OC)c2c1
InChIInChI=1S/C14H15NO3/c1-4-18-14(16)10-5-6-12-11(8-10)13(17-3)7-9(2)15-12/h5-8H,4H2,1-3H3
InChIKeyDEEAJQFFVRXUFC-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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Related Compounds

ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate
CID 135964784
methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate
CID 23764419
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016283
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
CID 46298743
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
6-iodo-4-methoxy-2-methylquinoline
CID 82581194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-methylquinoline-6-carboxylate?
The IUPAC name of ethyl 4-methoxy-2-methylquinoline-6-carboxylate (CID 23877743) is ethyl 4-methoxy-2-methylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-2-methylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4-methoxy-2-methylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(C)cc(OC)c2c1.
What is the InChIKey of ethyl 4-methoxy-2-methylquinoline-6-carboxylate?
The InChIKey is DEEAJQFFVRXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-18-14(16)10-5-6-12-11(8-10)13(17-3)7-9(2)15-12/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-2-methylquinoline-6-carboxylate?
ethyl 4-methoxy-2-methylquinoline-6-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 4-methoxy-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 23877743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).