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

C24H24ClN3 — CID 11639685

IUPAC2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1cc2cncc(N3CCc4ccccc4C3)c2n1Cc1ccccc1.Cl
InChIInChI=1S/C24H23N3.ClH/c1-18-13-22-14-25-15-23(24(22)27(18)16-19-7-3-2-4-8-19)26-12-11-20-9-5-6-10-21(20)17-26;/h2-10,13-15H,11-12,16-17H2,1H3;1H
InChIKeyDZJDGMFDBIGGLH-UHFFFAOYSA-N
MW389.93 g/mol
LogP5.38
Rot. Bonds3

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

2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 11639685) has the molecular formula C24H24ClN3 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID11639685
Molecular FormulaC24H24ClN3
Molecular Weight389.93 g/mol
Exact Mass389.17
IUPAC Name2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1cc2cncc(N3CCc4ccccc4C3)c2n1Cc1ccccc1.Cl
InChIInChI=1S/C24H23N3.ClH/c1-18-13-22-14-25-15-23(24(22)27(18)16-19-7-3-2-4-8-19)26-12-11-20-9-5-6-10-21(20)17-26;/h2-10,13-15H,11-12,16-17H2,1H3;1H
InChIKeyDZJDGMFDBIGGLH-UHFFFAOYSA-N
XLogP5.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride with MolForge

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Related Compounds

2-(1-benzyl-2,3-dimethylpyrrolo[3,2-b]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11589490
2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 11682228
[1-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl] methyl carbonate
CID 67143448
methyl 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]benzoate;hydrochloride
CID 11634017
2-(1-benzyl-2-methyl-3-methylsulfanylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67143520
1-benzyl-N-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142593
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 91965067
1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one
CID 19437775
2-(1,3-dibenzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11525854
2-(1-benzyl-2-methyl-3-methylsulfanylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 67142148
chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 141231751
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 11639685) is 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride is Cc1cc2cncc(N3CCc4ccccc4C3)c2n1Cc1ccccc1.Cl.
What is the InChIKey of 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is DZJDGMFDBIGGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3.ClH/c1-18-13-22-14-25-15-23(24(22)27(18)16-19-7-3-2-4-8-19)26-12-11-20-9-5-6-10-21(20)17-26;/h2-10,13-15H,11-12,16-17H2,1H3;1H.
What are the key properties of 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 11639685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).