ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate

C22H20N2O5 — CID 139234202

IUPACethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)n(C)c3ccccc23)C1c1ccccc1O
InChIInChI=1S/C22H20N2O5/c1-3-28-22(27)18-16(13-9-5-7-11-15(13)25)17-19(29-20(18)23)12-8-4-6-10-14(12)24(2)21(17)26/h4-11,16,25H,3,23H2,1-2H3
InChIKeyCKZTVWIMCCXCMI-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.50
Rot. Bonds3

About ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate

ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate (PubChem CID 139234202) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate
PubChem CID139234202
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Nameethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)n(C)c3ccccc23)C1c1ccccc1O
InChIInChI=1S/C22H20N2O5/c1-3-28-22(27)18-16(13-9-5-7-11-15(13)25)17-19(29-20(18)23)12-8-4-6-10-14(12)24(2)21(17)26/h4-11,16,25H,3,23H2,1-2H3
InChIKeyCKZTVWIMCCXCMI-UHFFFAOYSA-N
XLogP2.50
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-amino-4-(4-ethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920617
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
(4R)-2-amino-4-(4-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611120
2-amino-4-(2,3-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920236
ethyl (4R)-2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 26183237
ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
CID 1002261
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 1426600
2-amino-6-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920273
3,5-dimethyl-3H-furo[3,2-c]quinoline-2,4-dione
CID 13329306
ethyl 2-amino-11-ethyl-4-(2-hydroxyphenyl)-5-methyl-4H-pyrano[2,3-b][1,5]benzodiazepine-3-carboxylate
CID 14568137
2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 14168965
ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 17340859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate (CID 139234202) is ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate is CCOC(=O)C1=C(N)Oc2c(c(=O)n(C)c3ccccc23)C1c1ccccc1O.
What is the InChIKey of ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate?
The InChIKey is CKZTVWIMCCXCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-3-28-22(27)18-16(13-9-5-7-11-15(13)25)17-19(29-20(18)23)12-8-4-6-10-14(12)24(2)21(17)26/h4-11,16,25H,3,23H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate?
ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate is sourced from PubChem (CID 139234202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).