(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate

C16H18N2O3 — CID 3941582

IUPAC(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OC(C)C(N)=O)c1C
InChIInChI=1S/C16H18N2O3/c1-4-12-9(2)14(16(20)21-10(3)15(17)19)11-7-5-6-8-13(11)18-12/h5-8,10H,4H2,1-3H3,(H2,17,19)
InChIKeyAHLFLIJWOBUDCR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.14
Rot. Bonds4

About (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate

(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 3941582) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID3941582
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OC(C)C(N)=O)c1C
InChIInChI=1S/C16H18N2O3/c1-4-12-9(2)14(16(20)21-10(3)15(17)19)11-7-5-6-8-13(11)18-12/h5-8,10H,4H2,1-3H3,(H2,17,19)
InChIKeyAHLFLIJWOBUDCR-UHFFFAOYSA-N
XLogP2.14
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592720
[(1R)-1-cyanoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592746
[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8907857
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847100
[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 17393578
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847109
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847110
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 41323417
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7439217
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8908112
[2-(dimethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2092337

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate (CID 3941582) is (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OC(C)C(N)=O)c1C.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is AHLFLIJWOBUDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-12-9(2)14(16(20)21-10(3)15(17)19)11-7-5-6-8-13(11)18-12/h5-8,10H,4H2,1-3H3,(H2,17,19).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate?
(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 3941582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).