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

C23H20N2O7 — CID 137316048

IUPACethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate
SMILES[H]/N=c1\oc2c(c(-c3cc(OC)c(O)c(OC)c3)c1C(=O)OCC)c(=O)[nH]c1ccccc12
InChIInChI=1S/C23H20N2O7/c1-4-31-23(28)18-16(11-9-14(29-2)19(26)15(10-11)30-3)17-20(32-21(18)24)12-7-5-6-8-13(12)25-22(17)27/h5-10,24,26H,4H2,1-3H3,(H,25,27)/b24-21-
InChIKeyPOUZGAQPBCVAJV-FLFQWRMESA-N
MW436.42 g/mol
LogP3.32
Rot. Bonds5

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

ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate (PubChem CID 137316048) has the molecular formula C23H20N2O7 and a molecular weight of 436.42 g/mol. Its IUPAC name is ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate
PubChem CID137316048
Molecular FormulaC23H20N2O7
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Nameethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate
SMILES[H]/N=c1\oc2c(c(-c3cc(OC)c(O)c(OC)c3)c1C(=O)OCC)c(=O)[nH]c1ccccc12
InChIInChI=1S/C23H20N2O7/c1-4-31-23(28)18-16(11-9-14(29-2)19(26)15(10-11)30-3)17-20(32-21(18)24)12-7-5-6-8-13(12)25-22(17)27/h5-10,24,26H,4H2,1-3H3,(H,25,27)/b24-21-
InChIKeyPOUZGAQPBCVAJV-FLFQWRMESA-N
XLogP3.32
TPSA134.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

ethyl 2-imino-5-oxo-4-(2,3,4-trimethoxyphenyl)-6H-pyrano[3,2-c]quinoline-3-carboxylate
CID 137316050
butyl 4-(3,4-dimethoxyphenyl)-2-oxo-1H-quinoline-3-carboxylate
CID 140995779
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
CID 10406161
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
2-O-ethyl 3-O-methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxynaphthalene-2,3-dicarboxylate
CID 10368697
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
CID 10802052
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate (CID 137316048) is ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate is [H]/N=c1\oc2c(c(-c3cc(OC)c(O)c(OC)c3)c1C(=O)OCC)c(=O)[nH]c1ccccc12.
What is the InChIKey of ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate?
The InChIKey is POUZGAQPBCVAJV-FLFQWRMESA-N. The full InChI is InChI=1S/C23H20N2O7/c1-4-31-23(28)18-16(11-9-14(29-2)19(26)15(10-11)30-3)17-20(32-21(18)24)12-7-5-6-8-13(12)25-22(17)27/h5-10,24,26H,4H2,1-3H3,(H,25,27)/b24-21-.
What are the key properties of ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate?
ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate has a molecular weight of 436.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-imino-5-oxo-6H-pyrano[3,2-c]quinoline-3-carboxylate is sourced from PubChem (CID 137316048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).