ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate

C23H22N2O5 — CID 1427519

IUPACethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3c(C)cccc23)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C23H22N2O5/c1-4-29-23(27)18-16(13-8-10-14(28-3)11-9-13)17-20(30-21(18)24)15-7-5-6-12(2)19(15)25-22(17)26/h5-11,16H,4,24H2,1-3H3,(H,25,26)/t16-/m0/s1
InChIKeyWTRUADIQGFCSSR-INIZCTEOSA-N
MW406.44 g/mol
LogP3.10
Rot. Bonds4

About ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate

ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate (PubChem CID 1427519) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
PubChem CID1427519
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Nameethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3c(C)cccc23)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C23H22N2O5/c1-4-29-23(27)18-16(13-8-10-14(28-3)11-9-13)17-20(30-21(18)24)15-7-5-6-12(2)19(15)25-22(17)26/h5-11,16H,4,24H2,1-3H3,(H,25,26)/t16-/m0/s1
InChIKeyWTRUADIQGFCSSR-INIZCTEOSA-N
XLogP3.10
TPSA103.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 3800977
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 1426600
ethyl (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 27521655
ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 17340859
ethyl 4-amino-6-(4-methoxyphenyl)-8-oxo-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),4,13(17),14-pentaene-5-carboxylate
CID 139217785
ethyl (4S)-2-amino-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 40963682
ethyl 2-amino-4-(3-methylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 4899383
ethyl (4R)-2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 26183237
ethyl 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 4160314
ethyl (4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
CID 985619
ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287332
ethyl (4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate
CID 40810415

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The IUPAC name of ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate (CID 1427519) is ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate is CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3c(C)cccc23)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The InChIKey is WTRUADIQGFCSSR-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-4-29-23(27)18-16(13-8-10-14(28-3)11-9-13)17-20(30-21(18)24)15-7-5-6-12(2)19(15)25-22(17)26/h5-11,16H,4,24H2,1-3H3,(H,25,26)/t16-/m0/s1.
What are the key properties of ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate is sourced from PubChem (CID 1427519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).