ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate

C21H18N2O4 — CID 2929563

IUPACethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccccc1
InChIInChI=1S/C21H18N2O4/c1-2-26-21(25)17-15(12-8-4-3-5-9-12)16-18(27-19(17)22)13-10-6-7-11-14(13)23-20(16)24/h3-11,15H,2,22H2,1H3,(H,23,24)
InChIKeyWIQAAFXWVGRNLM-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.79
Rot. Bonds3

About ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate

ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate (PubChem CID 2929563) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
PubChem CID2929563
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Nameethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccccc1
InChIInChI=1S/C21H18N2O4/c1-2-26-21(25)17-15(12-8-4-3-5-9-12)16-18(27-19(17)22)13-10-6-7-11-14(13)23-20(16)24/h3-11,15H,2,22H2,1H3,(H,23,24)
InChIKeyWIQAAFXWVGRNLM-UHFFFAOYSA-N
XLogP2.79
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate (CID 2929563) is ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate is CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccccc1.
What is the InChIKey of ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The InChIKey is WIQAAFXWVGRNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-2-26-21(25)17-15(12-8-4-3-5-9-12)16-18(27-19(17)22)13-10-6-7-11-14(13)23-20(16)24/h3-11,15H,2,22H2,1H3,(H,23,24).
What are the key properties of ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate is sourced from PubChem (CID 2929563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).