5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride

C20H20ClN3O2 — CID 142681030

IUPAC5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride
SMILESCOCn1c(C)c(C)c2ccnc(Oc3cccc4cnccc34)c21.Cl
InChIInChI=1S/C20H19N3O2.ClH/c1-13-14(2)23(12-24-3)19-16(13)8-10-22-20(19)25-18-6-4-5-15-11-21-9-7-17(15)18;/h4-11H,12H2,1-3H3;1H
InChIKeyQGNANFPZQYATCD-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.02
Rot. Bonds4

About 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride

5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride (PubChem CID 142681030) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride
PubChem CID142681030
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride
SMILESCOCn1c(C)c(C)c2ccnc(Oc3cccc4cnccc34)c21.Cl
InChIInChI=1S/C20H19N3O2.ClH/c1-13-14(2)23(12-24-3)19-16(13)8-10-22-20(19)25-18-6-4-5-15-11-21-9-7-17(15)18;/h4-11H,12H2,1-3H3;1H
InChIKeyQGNANFPZQYATCD-UHFFFAOYSA-N
XLogP5.02
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride with MolForge

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Related Compounds

5-[2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline
CID 91158714
(2S)-1-isoquinolin-5-yloxypropan-2-amine
CID 69075857
5-(2-methoxy-3-pyridinyl)isoquinoline
CID 102599406
N-benzyl-1-isoquinolin-5-yloxy-3-methoxypropan-2-amine
CID 90668057
3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 162755230
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
1-isoquinolin-5-yl-2-methoxybutan-1-one
CID 116707361
5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline
CID 46935830
isoquinolin-5-yl trifluoromethanesulfonate
CID 15171927
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
5-isoquinolin-5-yloxyquinazoline-2,4-diamine
CID 24777024

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride?
The IUPAC name of 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride (CID 142681030) is 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride.
What is the SMILES notation for 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride?
The canonical SMILES for 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride is COCn1c(C)c(C)c2ccnc(Oc3cccc4cnccc34)c21.Cl.
What is the InChIKey of 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride?
The InChIKey is QGNANFPZQYATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2.ClH/c1-13-14(2)23(12-24-3)19-16(13)8-10-22-20(19)25-18-6-4-5-15-11-21-9-7-17(15)18;/h4-11H,12H2,1-3H3;1H.
What are the key properties of 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride?
5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline;hydrochloride is sourced from PubChem (CID 142681030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).