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

C18H19N3 — CID 150332027

IUPAC2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1cn(C)c2ccnc(N3CCc4ccccc4C3)c12
InChIInChI=1S/C18H19N3/c1-13-11-20(2)16-7-9-19-18(17(13)16)21-10-8-14-5-3-4-6-15(14)12-21/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyGPWHTJCKCRWUFX-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.44
Rot. Bonds1

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

2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 150332027) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID150332027
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1cn(C)c2ccnc(N3CCc4ccccc4C3)c12
InChIInChI=1S/C18H19N3/c1-13-11-20(2)16-7-9-19-18(17(13)16)21-10-8-14-5-3-4-6-15(14)12-21/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyGPWHTJCKCRWUFX-UHFFFAOYSA-N
XLogP3.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 150332027) is 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline is Cc1cn(C)c2ccnc(N3CCc4ccccc4C3)c12.
What is the InChIKey of 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is GPWHTJCKCRWUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-11-20(2)16-7-9-19-18(17(13)16)21-10-8-14-5-3-4-6-15(14)12-21/h3-7,9,11H,8,10,12H2,1-2H3.
What are the key properties of 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline?
2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 277.37 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 150332027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).