ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate

C16H20N2O3 — CID 3058683

IUPACethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)C)c2ccccc2n(C)c1=O
InChIInChI=1S/C16H20N2O3/c1-5-21-16(20)13-14(17-10(2)3)11-8-6-7-9-12(11)18(4)15(13)19/h6-10,17H,5H2,1-4H3
InChIKeyGHRGOXLGADAZRY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.54
Rot. Bonds4

About ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate

ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate (PubChem CID 3058683) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate
PubChem CID3058683
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)C)c2ccccc2n(C)c1=O
InChIInChI=1S/C16H20N2O3/c1-5-21-16(20)13-14(17-10(2)3)11-8-6-7-9-12(11)18(4)15(13)19/h6-10,17H,5H2,1-4H3
InChIKeyGHRGOXLGADAZRY-UHFFFAOYSA-N
XLogP2.54
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate (CID 3058683) is ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate is CCOC(=O)c1c(NC(C)C)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate?
The InChIKey is GHRGOXLGADAZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-21-16(20)13-14(17-10(2)3)11-8-6-7-9-12(11)18(4)15(13)19/h6-10,17H,5H2,1-4H3.
What are the key properties of ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate?
ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate is sourced from PubChem (CID 3058683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).