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

C18H20ClN3 — CID 67141169

IUPAC2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1[nH]c2c(N3CCc4ccccc4C3)nccc2c1C.Cl
InChIInChI=1S/C18H19N3.ClH/c1-12-13(2)20-17-16(12)7-9-19-18(17)21-10-8-14-5-3-4-6-15(14)11-21;/h3-7,9,20H,8,10-11H2,1-2H3;1H
InChIKeyQBWILGAXLQDKRQ-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.16
Rot. Bonds1

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

2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 67141169) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID67141169
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1[nH]c2c(N3CCc4ccccc4C3)nccc2c1C.Cl
InChIInChI=1S/C18H19N3.ClH/c1-12-13(2)20-17-16(12)7-9-19-18(17)21-10-8-14-5-3-4-6-15(14)11-21;/h3-7,9,20H,8,10-11H2,1-2H3;1H
InChIKeyQBWILGAXLQDKRQ-UHFFFAOYSA-N
XLogP4.16
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 144743909
2-(5-chloro-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 86615261
7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride
CID 67141624
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-4-thiol
CID 68704866
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile
CID 67141782
1-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-fluorophenyl)-N,N-dimethylethanamine
CID 67141777
7-(4-benzylpiperidin-1-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
CID 11515256
2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67142273
2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67142937
2-[1-(cyclopropylmethyl)-2-methyl-3-methylsulfonylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 67142209
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
N-[1-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethyl]-4-fluoroaniline;hydrochloride
CID 67141796

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 67141169) is 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride is Cc1[nH]c2c(N3CCc4ccccc4C3)nccc2c1C.Cl.
What is the InChIKey of 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is QBWILGAXLQDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.ClH/c1-12-13(2)20-17-16(12)7-9-19-18(17)21-10-8-14-5-3-4-6-15(14)11-21;/h3-7,9,20H,8,10-11H2,1-2H3;1H.
What are the key properties of 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 67141169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).