N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide

C20H25N3OS — CID 139703064

IUPACN-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCN1CCN2c3ccccc3CCC2C1
InChIInChI=1S/C20H25N3OS/c1-15-8-13-25-19(15)20(24)21-9-10-22-11-12-23-17(14-22)7-6-16-4-2-3-5-18(16)23/h2-5,8,13,17H,6-7,9-12,14H2,1H3,(H,21,24)
InChIKeyBUPSHLLTDHSZFO-UHFFFAOYSA-N
MW355.51 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide

N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 139703064) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide
PubChem CID139703064
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCN1CCN2c3ccccc3CCC2C1
InChIInChI=1S/C20H25N3OS/c1-15-8-13-25-19(15)20(24)21-9-10-22-11-12-23-17(14-22)7-6-16-4-2-3-5-18(16)23/h2-5,8,13,17H,6-7,9-12,14H2,1H3,(H,21,24)
InChIKeyBUPSHLLTDHSZFO-UHFFFAOYSA-N
XLogP2.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide (CID 139703064) is N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCN1CCN2c3ccccc3CCC2C1.
What is the InChIKey of N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is BUPSHLLTDHSZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-15-8-13-25-19(15)20(24)21-9-10-22-11-12-23-17(14-22)7-6-16-4-2-3-5-18(16)23/h2-5,8,13,17H,6-7,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide?
N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 139703064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).