4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine

C19H21N3OS — CID 71882683

IUPAC4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCOc1ccc2c(c1)CN(c1ncnc3sc(CC)cc13)CC2
InChIInChI=1S/C19H21N3OS/c1-3-16-10-17-18(20-12-21-19(17)24-16)22-8-7-13-5-6-15(23-4-2)9-14(13)11-22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyRIKUMSUMTCHGOU-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.22
Rot. Bonds4

About 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine

4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 71882683) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID71882683
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCOc1ccc2c(c1)CN(c1ncnc3sc(CC)cc13)CC2
InChIInChI=1S/C19H21N3OS/c1-3-16-10-17-18(20-12-21-19(17)24-16)22-8-7-13-5-6-15(23-4-2)9-14(13)11-22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyRIKUMSUMTCHGOU-UHFFFAOYSA-N
XLogP4.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine 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 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 71882683) is 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine is CCOc1ccc2c(c1)CN(c1ncnc3sc(CC)cc13)CC2.
What is the InChIKey of 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is RIKUMSUMTCHGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-3-16-10-17-18(20-12-21-19(17)24-16)22-8-7-13-5-6-15(23-4-2)9-14(13)11-22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 339.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 71882683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).