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

C23H22N2O4 — CID 17340859

IUPACethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccc(CC)cc1
InChIInChI=1S/C23H22N2O4/c1-3-13-9-11-14(12-10-13)17-18-20(29-21(24)19(17)23(27)28-4-2)15-7-5-6-8-16(15)25-22(18)26/h5-12,17H,3-4,24H2,1-2H3,(H,25,26)
InChIKeyOOCVANAGZRZWJX-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.35
Rot. Bonds4

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

ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate (PubChem CID 17340859) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
PubChem CID17340859
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccc(CC)cc1
InChIInChI=1S/C23H22N2O4/c1-3-13-9-11-14(12-10-13)17-18-20(29-21(24)19(17)23(27)28-4-2)15-7-5-6-8-16(15)25-22(18)26/h5-12,17H,3-4,24H2,1-2H3,(H,25,26)
InChIKeyOOCVANAGZRZWJX-UHFFFAOYSA-N
XLogP3.35
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate (CID 17340859) is ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate is CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccc(CC)cc1.
What is the InChIKey of ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
The InChIKey is OOCVANAGZRZWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-3-13-9-11-14(12-10-13)17-18-20(29-21(24)19(17)23(27)28-4-2)15-7-5-6-8-16(15)25-22(18)26/h5-12,17H,3-4,24H2,1-2H3,(H,25,26).
What are the key properties of ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate?
ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate is sourced from PubChem (CID 17340859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).