ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate

C13H15NO3 — CID 140989258

IUPACethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2ccccc2C1O
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)11-8(2)14-10-7-5-4-6-9(10)12(11)15/h4-7,12,14-15H,3H2,1-2H3
InChIKeyFVOZUPKMQYASCE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.98
Rot. Bonds2

About ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate

ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate (PubChem CID 140989258) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
PubChem CID140989258
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2ccccc2C1O
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)11-8(2)14-10-7-5-4-6-9(10)12(11)15/h4-7,12,14-15H,3H2,1-2H3
InChIKeyFVOZUPKMQYASCE-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 4-(2-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13374598
ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate
CID 71194784
ethyl (4R)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691366
ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate
CID 25136014
(Z)-3-[2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-2-methylprop-2-enoic acid
CID 67904955
diethyl (4E,15E)-3,5,14,16-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene-4,15-dicarboxylate
CID 11973529
diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate;ethyl benzoate
CID 91927684
diethyl 2,6-dimethyl-4-(2-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3457513
diethyl 4-benzhydryl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13001830
5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-(hydroxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143117884
ethyl (4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488606
diethyl 4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2748276

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate (CID 140989258) is ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate is CCOC(=O)C1=C(C)Nc2ccccc2C1O.
What is the InChIKey of ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate?
The InChIKey is FVOZUPKMQYASCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-13(16)11-8(2)14-10-7-5-4-6-9(10)12(11)15/h4-7,12,14-15H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate?
ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 140989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).