ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate

C15H18N2O3 — CID 64624967

IUPACethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate
SMILESCCOC(=O)c1nnc2ccccc2c1OC(C)(C)C
InChIInChI=1S/C15H18N2O3/c1-5-19-14(18)12-13(20-15(2,3)4)10-8-6-7-9-11(10)16-17-12/h6-9H,5H2,1-4H3
InChIKeyFVYOFFOQDCMBDV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.98
Rot. Bonds3

About ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate

ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate (PubChem CID 64624967) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate
PubChem CID64624967
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate
SMILESCCOC(=O)c1nnc2ccccc2c1OC(C)(C)C
InChIInChI=1S/C15H18N2O3/c1-5-19-14(18)12-13(20-15(2,3)4)10-8-6-7-9-11(10)16-17-12/h6-9H,5H2,1-4H3
InChIKeyFVYOFFOQDCMBDV-UHFFFAOYSA-N
XLogP2.98
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2,2,2-trifluoroethylamino)cinnoline-3-carboxylate
CID 64624179
ethyl 4-(3-methylbutylamino)cinnoline-3-carboxylate
CID 64624176
ethyl 4-(1,3-dihydroxypropan-2-ylamino)cinnoline-3-carboxylate
CID 65313889
ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate
CID 64624185
ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate
CID 115967641
ethyl 4-[1-hydroxypropan-2-yl(methyl)amino]cinnoline-3-carboxylate
CID 104552290
ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate
CID 64624194
ethyl cyclohepta[f]indazole-3-carboxylate
CID 150801024
ethyl 4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carboxylate
CID 133406275
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 3-acetyl-4-tert-butylquinoline-2-carboxylate
CID 70912053

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate?
The IUPAC name of ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate (CID 64624967) is ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate?
The canonical SMILES for ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate is CCOC(=O)c1nnc2ccccc2c1OC(C)(C)C.
What is the InChIKey of ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate?
The InChIKey is FVYOFFOQDCMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-5-19-14(18)12-13(20-15(2,3)4)10-8-6-7-9-11(10)16-17-12/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate?
ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate is sourced from PubChem (CID 64624967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).