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

C19H20N2O3S — CID 56923195

IUPACN-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2cccs2)Cc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21
InChIInChI=1S/C19H20N2O3S/c22-16-9-11(17-6-3-7-25-17)8-15-13(16)10-14(19(24)21-15)18(23)20-12-4-1-2-5-12/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,20,23)(H,21,24)
InChIKeyAXHVHULYWHBBNU-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.02
Rot. Bonds3

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

N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 56923195) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID56923195
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2cccs2)Cc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21
InChIInChI=1S/C19H20N2O3S/c22-16-9-11(17-6-3-7-25-17)8-15-13(16)10-14(19(24)21-15)18(23)20-12-4-1-2-5-12/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,20,23)(H,21,24)
InChIKeyAXHVHULYWHBBNU-UHFFFAOYSA-N
XLogP3.02
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 56923195) is N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CC(c2cccs2)Cc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21.
What is the InChIKey of N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is AXHVHULYWHBBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-16-9-11(17-6-3-7-25-17)8-15-13(16)10-14(19(24)21-15)18(23)20-12-4-1-2-5-12/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,20,23)(H,21,24).
What are the key properties of N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 56923195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).