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

C21H25N3O — CID 11682228

IUPAC2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOCCn1c(C)c(C)c2cncc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C21H25N3O/c1-15-16(2)24(10-11-25-3)21-19(15)12-22-13-20(21)23-9-8-17-6-4-5-7-18(17)14-23/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyDKPBNNQCNXLLJE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.86
Rot. Bonds4

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

2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 11682228) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID11682228
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOCCn1c(C)c(C)c2cncc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C21H25N3O/c1-15-16(2)24(10-11-25-3)21-19(15)12-22-13-20(21)23-9-8-17-6-4-5-7-18(17)14-23/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyDKPBNNQCNXLLJE-UHFFFAOYSA-N
XLogP3.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67142273
7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142551
2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 67142218
2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11639685
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dimethylpyrrolo[3,2-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 11495313
2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683137
2-(1-benzyl-2,3-dimethylpyrrolo[3,2-b]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11589490
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
[1-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl] methyl carbonate
CID 67143448
2-(5-fluoro-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67141212
2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 87285407
2-[[1-(2-methoxyethyl)-2-methylpyrrol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 141136022

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline (CID 11682228) is 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline is COCCn1c(C)c(C)c2cncc(N3CCc4ccccc4C3)c21.
What is the InChIKey of 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is DKPBNNQCNXLLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-16(2)24(10-11-25-3)21-19(15)12-22-13-20(21)23-9-8-17-6-4-5-7-18(17)14-23/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline?
2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 335.45 g/mol, XLogP of 3.86, 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[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11682228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).