[1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone

C23H23N3O2S — CID 155395918

IUPAC[1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone
SMILESCOc1ccc2c(c1)C(Cc1c[nH]c3c1CCC=C3)N(C(=O)c1nccs1)CC2
InChIInChI=1S/C23H23N3O2S/c1-28-17-7-6-15-8-10-26(23(27)22-24-9-11-29-22)21(19(15)13-17)12-16-14-25-20-5-3-2-4-18(16)20/h3,5-7,9,11,13-14,21,25H,2,4,8,10,12H2,1H3
InChIKeyKHFMNZIIPGCTKD-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.42
Rot. Bonds4

About [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone

[1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 155395918) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID155395918
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name[1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone
SMILESCOc1ccc2c(c1)C(Cc1c[nH]c3c1CCC=C3)N(C(=O)c1nccs1)CC2
InChIInChI=1S/C23H23N3O2S/c1-28-17-7-6-15-8-10-26(23(27)22-24-9-11-29-22)21(19(15)13-17)12-16-14-25-20-5-3-2-4-18(16)20/h3,5-7,9,11,13-14,21,25H,2,4,8,10,12H2,1H3
InChIKeyKHFMNZIIPGCTKD-UHFFFAOYSA-N
XLogP4.42
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone 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 [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone (CID 155395918) is [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone is COc1ccc2c(c1)C(Cc1c[nH]c3c1CCC=C3)N(C(=O)c1nccs1)CC2.
What is the InChIKey of [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is KHFMNZIIPGCTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-28-17-7-6-15-8-10-26(23(27)22-24-9-11-29-22)21(19(15)13-17)12-16-14-25-20-5-3-2-4-18(16)20/h3,5-7,9,11,13-14,21,25H,2,4,8,10,12H2,1H3.
What are the key properties of [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone?
[1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 405.52 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dihydro-1H-indol-3-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 155395918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).