N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide

C24H23N3O2S — CID 12005221

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NCCN4CCc5ccccc5C4)cc3cc2c1
InChIInChI=1S/C24H23N3O2S/c1-29-20-6-7-21-18(13-20)12-19-14-22(30-24(19)26-21)23(28)25-9-11-27-10-8-16-4-2-3-5-17(16)15-27/h2-7,12-14H,8-11,15H2,1H3,(H,25,28)
InChIKeyISVDDKUFLXRXKJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.25
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 12005221) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID12005221
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NCCN4CCc5ccccc5C4)cc3cc2c1
InChIInChI=1S/C24H23N3O2S/c1-29-20-6-7-21-18(13-20)12-19-14-22(30-24(19)26-21)23(28)25-9-11-27-10-8-16-4-2-3-5-17(16)15-27/h2-7,12-14H,8-11,15H2,1H3,(H,25,28)
InChIKeyISVDDKUFLXRXKJ-UHFFFAOYSA-N
XLogP4.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-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-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 12005221) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2nc3sc(C(=O)NCCN4CCc5ccccc5C4)cc3cc2c1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is ISVDDKUFLXRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-29-20-6-7-21-18(13-20)12-19-14-22(30-24(19)26-21)23(28)25-9-11-27-10-8-16-4-2-3-5-17(16)15-27/h2-7,12-14H,8-11,15H2,1H3,(H,25,28).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 12005221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).