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

C17H16N2O3S — CID 51054853

IUPACN-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2cccs2)Cc2[nH]c(=O)c(C(=O)NC3CC3)cc21
InChIInChI=1S/C17H16N2O3S/c20-14-7-9(15-2-1-5-23-15)6-13-11(14)8-12(17(22)19-13)16(21)18-10-3-4-10/h1-2,5,8-10H,3-4,6-7H2,(H,18,21)(H,19,22)
InChIKeyPZZPXUJLBIGRQZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.24
Rot. Bonds3

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

N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 51054853) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID51054853
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2cccs2)Cc2[nH]c(=O)c(C(=O)NC3CC3)cc21
InChIInChI=1S/C17H16N2O3S/c20-14-7-9(15-2-1-5-23-15)6-13-11(14)8-12(17(22)19-13)16(21)18-10-3-4-10/h1-2,5,8-10H,3-4,6-7H2,(H,18,21)(H,19,22)
InChIKeyPZZPXUJLBIGRQZ-UHFFFAOYSA-N
XLogP2.24
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 51054853) is N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-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)NC3CC3)cc21.
What is the InChIKey of N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is PZZPXUJLBIGRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-14-7-9(15-2-1-5-23-15)6-13-11(14)8-12(17(22)19-13)16(21)18-10-3-4-10/h1-2,5,8-10H,3-4,6-7H2,(H,18,21)(H,19,22).
What are the key properties of N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 51054853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).