2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride

C21H26ClN3O — CID 67142273

IUPAC2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOCCn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3)c21.Cl
InChIInChI=1S/C21H25N3O.ClH/c1-15-16(2)24(12-13-25-3)20-19(15)8-10-22-21(20)23-11-9-17-6-4-5-7-18(17)14-23;/h4-8,10H,9,11-14H2,1-3H3;1H
InChIKeyOFFRVDSVTNXICR-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.28
Rot. Bonds4

About 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride

2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 67142273) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID67142273
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOCCn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3)c21.Cl
InChIInChI=1S/C21H25N3O.ClH/c1-15-16(2)24(12-13-25-3)20-19(15)8-10-22-21(20)23-11-9-17-6-4-5-7-18(17)14-23;/h4-8,10H,9,11-14H2,1-3H3;1H
InChIKeyOFFRVDSVTNXICR-UHFFFAOYSA-N
XLogP4.28
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride 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 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 67142273) is 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride is COCCn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3)c21.Cl.
What is the InChIKey of 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is OFFRVDSVTNXICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.ClH/c1-15-16(2)24(12-13-25-3)20-19(15)8-10-22-21(20)23-11-9-17-6-4-5-7-18(17)14-23;/h4-8,10H,9,11-14H2,1-3H3;1H.
What are the key properties of 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 67142273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).