2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol

C19H17N3O3S — CID 90485042

IUPAC2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol
SMILESCCO.N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccsc1
InChIInChI=1S/C17H11N3O2S.C2H6O/c18-7-11-13(9-5-6-23-8-9)14-15(22-16(11)19)10-3-1-2-4-12(10)20-17(14)21;1-2-3/h1-6,8,13H,19H2,(H,20,21);3H,2H2,1H3
InChIKeyBVBKOERYZLZCAK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.81
Rot. Bonds1

About 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol

2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol (PubChem CID 90485042) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol.

Molecular Properties

Compound Name2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol
PubChem CID90485042
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol
SMILESCCO.N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccsc1
InChIInChI=1S/C17H11N3O2S.C2H6O/c18-7-11-13(9-5-6-23-8-9)14-15(22-16(11)19)10-3-1-2-4-12(10)20-17(14)21;1-2-3/h1-6,8,13H,19H2,(H,20,21);3H,2H2,1H3
InChIKeyBVBKOERYZLZCAK-UHFFFAOYSA-N
XLogP2.81
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol?
The IUPAC name of 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol (CID 90485042) is 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol.
What is the SMILES notation for 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol?
The canonical SMILES for 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol is CCO.N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccsc1.
What is the InChIKey of 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol?
The InChIKey is BVBKOERYZLZCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S.C2H6O/c18-7-11-13(9-5-6-23-8-9)14-15(22-16(11)19)10-3-1-2-4-12(10)20-17(14)21;1-2-3/h1-6,8,13H,19H2,(H,20,21);3H,2H2,1H3.
What are the key properties of 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol?
2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol has a molecular weight of 367.43 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile;ethanol is sourced from PubChem (CID 90485042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).