7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride

C19H23ClN4 — CID 67141624

IUPAC7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride
SMILESCNc1cc2c(C)c(C)[nH]c2c(N2CCc3ccccc3C2)n1.Cl
InChIInChI=1S/C19H22N4.ClH/c1-12-13(2)21-18-16(12)10-17(20-3)22-19(18)23-9-8-14-6-4-5-7-15(14)11-23;/h4-7,10,21H,8-9,11H2,1-3H3,(H,20,22);1H
InChIKeyJSDVDRSAUACINJ-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.21
Rot. Bonds2

About 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride

7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride (PubChem CID 67141624) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride.

Molecular Properties

Compound Name7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride
PubChem CID67141624
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC Name7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride
SMILESCNc1cc2c(C)c(C)[nH]c2c(N2CCc3ccccc3C2)n1.Cl
InChIInChI=1S/C19H22N4.ClH/c1-12-13(2)21-18-16(12)10-17(20-3)22-19(18)23-9-8-14-6-4-5-7-15(14)11-23;/h4-7,10,21H,8-9,11H2,1-3H3,(H,20,22);1H
InChIKeyJSDVDRSAUACINJ-UHFFFAOYSA-N
XLogP4.21
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride?
The IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride (CID 67141624) is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride.
What is the SMILES notation for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride?
The canonical SMILES for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride is CNc1cc2c(C)c(C)[nH]c2c(N2CCc3ccccc3C2)n1.Cl.
What is the InChIKey of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride?
The InChIKey is JSDVDRSAUACINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4.ClH/c1-12-13(2)21-18-16(12)10-17(20-3)22-19(18)23-9-8-14-6-4-5-7-15(14)11-23;/h4-7,10,21H,8-9,11H2,1-3H3,(H,20,22);1H.
What are the key properties of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride?
7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride is sourced from PubChem (CID 67141624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).