methyl 4-ethoxy-6-methylquinoline-2-carboxylate

C14H15NO3 — CID 102941885

IUPACmethyl 4-ethoxy-6-methylquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2ccc(C)cc12
InChIInChI=1S/C14H15NO3/c1-4-18-13-8-12(14(16)17-3)15-11-6-5-9(2)7-10(11)13/h5-8H,4H2,1-3H3
InChIKeyCJNBPABXVUWUDH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.73
Rot. Bonds3

About methyl 4-ethoxy-6-methylquinoline-2-carboxylate

methyl 4-ethoxy-6-methylquinoline-2-carboxylate (PubChem CID 102941885) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 4-ethoxy-6-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethoxy-6-methylquinoline-2-carboxylate
PubChem CID102941885
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 4-ethoxy-6-methylquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2ccc(C)cc12
InChIInChI=1S/C14H15NO3/c1-4-18-13-8-12(14(16)17-3)15-11-6-5-9(2)7-10(11)13/h5-8H,4H2,1-3H3
InChIKeyCJNBPABXVUWUDH-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

methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
CID 102941956
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53043317
methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53002897
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
methyl 6-methyl-4-[2-(3-methylsulfanylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113000
methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate
CID 141467624
methyl 6-methoxy-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53113031
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
CID 45499064
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxy-6-methylquinoline-2-carboxylate?
The IUPAC name of methyl 4-ethoxy-6-methylquinoline-2-carboxylate (CID 102941885) is methyl 4-ethoxy-6-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-ethoxy-6-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-ethoxy-6-methylquinoline-2-carboxylate is CCOc1cc(C(=O)OC)nc2ccc(C)cc12.
What is the InChIKey of methyl 4-ethoxy-6-methylquinoline-2-carboxylate?
The InChIKey is CJNBPABXVUWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-18-13-8-12(14(16)17-3)15-11-6-5-9(2)7-10(11)13/h5-8H,4H2,1-3H3.
What are the key properties of methyl 4-ethoxy-6-methylquinoline-2-carboxylate?
methyl 4-ethoxy-6-methylquinoline-2-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 methyl 4-ethoxy-6-methylquinoline-2-carboxylate is sourced from PubChem (CID 102941885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).