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

C19H17N3O4 — CID 3167886

IUPACmethyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C19H17N3O4/c1-9-4-5-11-7-12(18(23)22-14(11)6-9)16-13(8-20)17(21)26-10(2)15(16)19(24)25-3/h4-7,16H,21H2,1-3H3,(H,22,23)
InChIKeyNXFBVUNOKLFVGZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.09
Rot. Bonds2

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

methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate (PubChem CID 3167886) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
PubChem CID3167886
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C19H17N3O4/c1-9-4-5-11-7-12(18(23)22-14(11)6-9)16-13(8-20)17(21)26-10(2)15(16)19(24)25-3/h4-7,16H,21H2,1-3H3,(H,22,23)
InChIKeyNXFBVUNOKLFVGZ-UHFFFAOYSA-N
XLogP2.09
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

3,5-Diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-YL)-1,4-dihydropyridine-3,5-dicarboxylate
CID 646662
2,6-Dimethyl-4-(7-methyl-2-oxo-1,2-dihydro-quinolin-3-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
CID 652775
4-(2-hydroxy-7-methylquinolin-3-yl)-6,7-dimethyl-4,6-dihydro-2H-pyrano[3,2-c]pyridine-2,5(3H)-dione
CID 129895181
Prop-2-EN-1-YL 6-amino-5-cyano-2-methyl-4-(6-methyl-2-oxo-1H-quinolin-3-YL)-4H-pyran-3-carboxylate
CID 3169417
diethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 139234985
dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 139234986
dimethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 124202251
dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate
CID 177448918
diethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate
CID 177617397
methyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
CID 3167882
ethyl 6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
CID 3167883
ethyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
CID 3167887

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate (CID 3167886) is methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate is COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate?
The InChIKey is NXFBVUNOKLFVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-9-4-5-11-7-12(18(23)22-14(11)6-9)16-13(8-20)17(21)26-10(2)15(16)19(24)25-3/h4-7,16H,21H2,1-3H3,(H,22,23).
What are the key properties of methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate?
methyl 6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 2.09, 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-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate is sourced from PubChem (CID 3167886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).