methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate

C20H19N3O4 — CID 3167919

IUPACmethyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C20H19N3O4/c1-9-5-12-7-13(19(24)23-15(12)6-10(9)2)17-14(8-21)18(22)27-11(3)16(17)20(25)26-4/h5-7,17H,22H2,1-4H3,(H,23,24)
InChIKeyGDURPPYDCJFPEW-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.40
Rot. Bonds2

About methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate

methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate (PubChem CID 3167919) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate
PubChem CID3167919
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C20H19N3O4/c1-9-5-12-7-13(19(24)23-15(12)6-10(9)2)17-14(8-21)18(22)27-11(3)16(17)20(25)26-4/h5-7,17H,22H2,1-4H3,(H,23,24)
InChIKeyGDURPPYDCJFPEW-UHFFFAOYSA-N
XLogP2.40
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate (CID 3167919) is methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate is COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The InChIKey is GDURPPYDCJFPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-9-5-12-7-13(19(24)23-15(12)6-10(9)2)17-14(8-21)18(22)27-11(3)16(17)20(25)26-4/h5-7,17H,22H2,1-4H3,(H,23,24).
What are the key properties of methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate?
methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 3167919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).