ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate

C20H19N3O4 — CID 3167883

IUPACethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C20H19N3O4/c1-4-26-20(25)15-11(3)27-18(22)14(9-21)16(15)13-8-12-7-5-6-10(2)17(12)23-19(13)24/h5-8,16H,4,22H2,1-3H3,(H,23,24)
InChIKeyAUIBFPFFSPAOJR-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.48
Rot. Bonds3

About ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate

ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate (PubChem CID 3167883) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
PubChem CID3167883
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C20H19N3O4/c1-4-26-20(25)15-11(3)27-18(22)14(9-21)16(15)13-8-12-7-5-6-10(2)17(12)23-19(13)24/h5-8,16H,4,22H2,1-3H3,(H,23,24)
InChIKeyAUIBFPFFSPAOJR-UHFFFAOYSA-N
XLogP2.48
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate (CID 3167883) is ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate is CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate?
The InChIKey is AUIBFPFFSPAOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-4-26-20(25)15-11(3)27-18(22)14(9-21)16(15)13-8-12-7-5-6-10(2)17(12)23-19(13)24/h5-8,16H,4,22H2,1-3H3,(H,23,24).
What are the key properties of ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate?
ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate is sourced from PubChem (CID 3167883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).