2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide

C17H18N2O3S — CID 56921452

IUPAC2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c([nH]c1=O)CC(c1cccs1)CC2=O
InChIInChI=1S/C17H18N2O3S/c1-9(2)18-16(21)12-8-11-13(19-17(12)22)6-10(7-14(11)20)15-4-3-5-23-15/h3-5,8-10H,6-7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFMGKFNJKYPVBIR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.49
Rot. Bonds3

About 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 56921452) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID56921452
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c([nH]c1=O)CC(c1cccs1)CC2=O
InChIInChI=1S/C17H18N2O3S/c1-9(2)18-16(21)12-8-11-13(19-17(12)22)6-10(7-14(11)20)15-4-3-5-23-15/h3-5,8-10H,6-7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFMGKFNJKYPVBIR-UHFFFAOYSA-N
XLogP2.49
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 56921452) is 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC(C)NC(=O)c1cc2c([nH]c1=O)CC(c1cccs1)CC2=O.
What is the InChIKey of 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is FMGKFNJKYPVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-9(2)18-16(21)12-8-11-13(19-17(12)22)6-10(7-14(11)20)15-4-3-5-23-15/h3-5,8-10H,6-7H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-propan-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 56921452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).