ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate

C17H18N2O3 — CID 58064212

IUPACethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1CCc1c-2ccc(C)c1CC=O
InChIInChI=1S/C17H18N2O3/c1-3-22-17(21)16-15-7-5-13-12(8-9-20)11(2)4-6-14(13)19(15)10-18-16/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyCIHNWQGFAUBYGS-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.20
Rot. Bonds4

About ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate

ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 58064212) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID58064212
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1CCc1c-2ccc(C)c1CC=O
InChIInChI=1S/C17H18N2O3/c1-3-22-17(21)16-15-7-5-13-12(8-9-20)11(2)4-6-14(13)19(15)10-18-16/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyCIHNWQGFAUBYGS-UHFFFAOYSA-N
XLogP2.20
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene-9-carboxylate
CID 118178138
ethyl 8-amino-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 11771025
ethyl 12-chloro-8-methyl-9-oxo-2,4,8,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate
CID 71521516
ethyl 8-bromo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10737466
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CID 10023623
ethyl 1-methyl-3-(2-oxoethyl)indole-2-carboxylate
CID 12868769
ethyl 8-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
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ethyl 6-(4-methoxyphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 53465604
ethyl 16-fluoro-11-propyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
CID 10155774
2,3-dihydroxybutanedioic acid;ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 175431731
ethyl 11-propan-2-yl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,10,12,14,16-octaene-5-carboxylate
CID 10291416
ethyl 5-ethynyl-16-methoxy-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaene-9-carboxylate
CID 135228241

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate (CID 58064212) is ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate is CCOC(=O)c1ncn2c1CCc1c-2ccc(C)c1CC=O.
What is the InChIKey of ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is CIHNWQGFAUBYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-22-17(21)16-15-7-5-13-12(8-9-20)11(2)4-6-14(13)19(15)10-18-16/h4,6,9-10H,3,5,7-8H2,1-2H3.
What are the key properties of ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate?
ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 58064212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).