ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate

C20H25NO5 — CID 154116681

IUPACethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(OCC(C)C)c(OCC3CC3)cc2c1=O
InChIInChI=1S/C20H25NO5/c1-4-24-20(23)15-9-21-16-8-18(25-10-12(2)3)17(7-14(16)19(15)22)26-11-13-5-6-13/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,21,22)
InChIKeyZEDQGBZUMQWKLU-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.53
Rot. Bonds8

About ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 154116681) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID154116681
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Nameethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(OCC(C)C)c(OCC3CC3)cc2c1=O
InChIInChI=1S/C20H25NO5/c1-4-24-20(23)15-9-21-16-8-18(25-10-12(2)3)17(7-14(16)19(15)22)26-11-13-5-6-13/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,21,22)
InChIKeyZEDQGBZUMQWKLU-UHFFFAOYSA-N
XLogP3.53
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 50877325
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethyl 6-dodecoxy-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141170084
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 7-methoxy-6-[2-(2-methylphenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 25105443
ethyl 7-methyl-6-[2-(2-methylphenoxy)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 46192913
ethyl 7-chloro-6-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733849
ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 46192775
ethyl 6-(2-aminoethylsulfanyl)-7-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 69349601
ethyl 7-bromo-6-(4-bromophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 102284658
ethyl 7-chloro-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 1069432
ethyl 6-dodecoxy-4-oxo-7-phenyl-1H-quinoline-3-carboxylate
CID 141212218

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate (CID 154116681) is ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2cc(OCC(C)C)c(OCC3CC3)cc2c1=O.
What is the InChIKey of ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is ZEDQGBZUMQWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-4-24-20(23)15-9-21-16-8-18(25-10-12(2)3)17(7-14(16)19(15)22)26-11-13-5-6-13/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,21,22).
What are the key properties of ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 359.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 154116681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).