ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate

C19H21NO4 — CID 118986596

IUPACethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C
InChIInChI=1S/C19H21NO4/c1-6-23-17(21)14-8-12-7-13-11(2)10-19(3,4)20(5)15(13)9-16(12)24-18(14)22/h7-10H,6H2,1-5H3
InChIKeyWJUVINBJTNVWTK-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.60
Rot. Bonds2

About ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate

ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate (PubChem CID 118986596) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate
PubChem CID118986596
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C
InChIInChI=1S/C19H21NO4/c1-6-23-17(21)14-8-12-7-13-11(2)10-19(3,4)20(5)15(13)9-16(12)24-18(14)22/h7-10H,6H2,1-5H3
InChIKeyWJUVINBJTNVWTK-UHFFFAOYSA-N
XLogP3.60
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate with MolForge

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Related Compounds

3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one
CID 118986597
9-ethyl-6,8,8-trimethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylic acid;methyl 9-ethyl-6,8,8-trimethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate
CID 160686131
ethyl 7-nitro-2-oxochromene-3-carboxylate
CID 3027556
ethyl 6-bromo-2-oxochromene-3-carboxylate
CID 691747
4-[(6S)-3-ethoxycarbonyl-6,8,8-trimethyl-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl]butanoic acid
CID 98053154
ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate
CID 12792494
ethyl 7-(4-methylphenyl)-2-oxochromene-3-carboxylate
CID 50994673
ethyl 7-acetyloxy-2-oxochromene-3-carboxylate
CID 688600
4-[7-(diethylamino)-3-ethoxycarbonyl-2-oxochromen-6-yl]benzoic acid
CID 102276209
ethyl 2-oxo-6-(trifluoromethoxy)chromene-3-carboxylate
CID 10335058
ethyl 7-methoxy-2-oxo-6-(4-phenyltriazol-1-yl)chromene-3-carboxylate
CID 168897788
ethyl 2-oxo-6-pyrimidin-5-ylchromene-3-carboxylate
CID 46229575

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate (CID 118986596) is ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate is CCOC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C.
What is the InChIKey of ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate?
The InChIKey is WJUVINBJTNVWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-6-23-17(21)14-8-12-7-13-11(2)10-19(3,4)20(5)15(13)9-16(12)24-18(14)22/h7-10H,6H2,1-5H3.
What are the key properties of ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate?
ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate is sourced from PubChem (CID 118986596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).