2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide

C16H15N3O3S — CID 3160846

IUPAC2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
SMILESN#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)C1c1ccco1
InChIInChI=1S/C16H15N3O3S/c17-7-9-14(12-5-2-6-22-12)15-10(3-1-4-11(15)20)19-16(9)23-8-13(18)21/h2,5-6,14,19H,1,3-4,8H2,(H2,18,21)
InChIKeyVRXQWWWCUOIKIH-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.93
Rot. Bonds4

About 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide

2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide (PubChem CID 3160846) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
PubChem CID3160846
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
SMILESN#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)C1c1ccco1
InChIInChI=1S/C16H15N3O3S/c17-7-9-14(12-5-2-6-22-12)15-10(3-1-4-11(15)20)19-16(9)23-8-13(18)21/h2,5-6,14,19H,1,3-4,8H2,(H2,18,21)
InChIKeyVRXQWWWCUOIKIH-UHFFFAOYSA-N
XLogP1.93
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide (CID 3160846) is 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide is N#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)C1c1ccco1.
What is the InChIKey of 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide?
The InChIKey is VRXQWWWCUOIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-7-9-14(12-5-2-6-22-12)15-10(3-1-4-11(15)20)19-16(9)23-8-13(18)21/h2,5-6,14,19H,1,3-4,8H2,(H2,18,21).
What are the key properties of 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide?
2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3160846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).