ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate

C24H22N2O7 — CID 137316050

IUPACethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate
SMILES[H]/N=c1\oc2c(c(-c3ccc(OC)c(OC)c3OC)c1C(=O)OCC)c(=O)[nH]c1ccccc12
InChIInChI=1S/C24H22N2O7/c1-5-32-24(28)18-16(13-10-11-15(29-2)21(31-4)20(13)30-3)17-19(33-22(18)25)12-8-6-7-9-14(12)26-23(17)27/h6-11,25H,5H2,1-4H3,(H,26,27)/b25-22-
InChIKeyVPZYQGUACAAVQF-LVWGJNHUSA-N
MW450.45 g/mol
LogP3.62
Rot. Bonds6

About ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate

ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate (PubChem CID 137316050) has the molecular formula C24H22N2O7 and a molecular weight of 450.45 g/mol. Its IUPAC name is ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate
PubChem CID137316050
Molecular FormulaC24H22N2O7
Molecular Weight450.45 g/mol
Exact Mass450.14
IUPAC Nameethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate
SMILES[H]/N=c1\oc2c(c(-c3ccc(OC)c(OC)c3OC)c1C(=O)OCC)c(=O)[nH]c1ccccc12
InChIInChI=1S/C24H22N2O7/c1-5-32-24(28)18-16(13-10-11-15(29-2)21(31-4)20(13)30-3)17-19(33-22(18)25)12-8-6-7-9-14(12)26-23(17)27/h6-11,25H,5H2,1-4H3,(H,26,27)/b25-22-
InChIKeyVPZYQGUACAAVQF-LVWGJNHUSA-N
XLogP3.62
TPSA123.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate
CID 137316048
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
2-(2,3,4-trimethoxyphenyl)-1H-indole-3-carboxylic acid
CID 45032309
ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate
CID 118140270
3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
CID 10802052
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
ethyl 5-(aminomethyl)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 144808510
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
methyl 3-methyl-4-oxo-5H-furo[3,4-c]quinoline-1-carboxylate
CID 10729818
ethyl (4S)-2-amino-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 40963682
ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
CID 10406161

Frequently Asked Questions

What is the IUPAC name of ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate (CID 137316050) is ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate is [H]/N=c1\oc2c(c(-c3ccc(OC)c(OC)c3OC)c1C(=O)OCC)c(=O)[nH]c1ccccc12.
What is the InChIKey of ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate?
The InChIKey is VPZYQGUACAAVQF-LVWGJNHUSA-N. The full InChI is InChI=1S/C24H22N2O7/c1-5-32-24(28)18-16(13-10-11-15(29-2)21(31-4)20(13)30-3)17-19(33-22(18)25)12-8-6-7-9-14(12)26-23(17)27/h6-11,25H,5H2,1-4H3,(H,26,27)/b25-22-.
What are the key properties of ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate?
ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate has a molecular weight of 450.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate is sourced from PubChem (CID 137316050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).