ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate

C15H17NO5 — CID 21474001

IUPACethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C(OC)OC)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H17NO5/c1-4-21-14(18)12-11(15(19-2)20-3)9-7-5-6-8-10(9)16-13(12)17/h5-8,15H,4H2,1-3H3,(H,16,17)
InChIKeyGUYLXLAREXFRPP-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.00
Rot. Bonds5

About ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 21474001) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
PubChem CID21474001
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C(OC)OC)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H17NO5/c1-4-21-14(18)12-11(15(19-2)20-3)9-7-5-6-8-10(9)16-13(12)17/h5-8,15H,4H2,1-3H3,(H,16,17)
InChIKeyGUYLXLAREXFRPP-UHFFFAOYSA-N
XLogP2.00
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate (CID 21474001) is ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(C(OC)OC)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is GUYLXLAREXFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-4-21-14(18)12-11(15(19-2)20-3)9-7-5-6-8-10(9)16-13(12)17/h5-8,15H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 21474001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).