ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate

C18H22N2O4 — CID 17016283

IUPACethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)cc(NC(=O)COC(C)C)c2c1
InChIInChI=1S/C18H22N2O4/c1-5-23-18(22)13-6-7-15-14(9-13)16(8-12(4)19-15)20-17(21)10-24-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,19,20,21)
InChIKeyLKWJWDSRVXQUQY-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate

ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate (PubChem CID 17016283) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
PubChem CID17016283
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)cc(NC(=O)COC(C)C)c2c1
InChIInChI=1S/C18H22N2O4/c1-5-23-18(22)13-6-7-15-14(9-13)16(8-12(4)19-15)20-17(21)10-24-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,19,20,21)
InChIKeyLKWJWDSRVXQUQY-UHFFFAOYSA-N
XLogP3.08
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016336
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2791223
propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate
CID 17016338
ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016316
methyl 4-chloro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112687194
methyl 4-fluoro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 47418207
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate (CID 17016283) is ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate is CCOC(=O)c1ccc2nc(C)cc(NC(=O)COC(C)C)c2c1.
What is the InChIKey of ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate?
The InChIKey is LKWJWDSRVXQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-23-18(22)13-6-7-15-14(9-13)16(8-12(4)19-15)20-17(21)10-24-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,19,20,21).
What are the key properties of ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate?
ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate is sourced from PubChem (CID 17016283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).