8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

C17H14N4 — CID 144977078

IUPAC8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
SMILESCc1ccc(N)c2cc(-n3ccc4ccncc43)ncc12
InChIInChI=1S/C17H14N4/c1-11-2-3-15(18)13-8-17(20-9-14(11)13)21-7-5-12-4-6-19-10-16(12)21/h2-10H,18H2,1H3
InChIKeyRRACJAOZOIYBCK-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.46
Rot. Bonds1

About 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (PubChem CID 144977078) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.

Molecular Properties

Compound Name8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
PubChem CID144977078
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
SMILESCc1ccc(N)c2cc(-n3ccc4ccncc43)ncc12
InChIInChI=1S/C17H14N4/c1-11-2-3-15(18)13-8-17(20-9-14(11)13)21-7-5-12-4-6-19-10-16(12)21/h2-10H,18H2,1H3
InChIKeyRRACJAOZOIYBCK-UHFFFAOYSA-N
XLogP3.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The IUPAC name of 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (CID 144977078) is 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.
What is the SMILES notation for 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The canonical SMILES for 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is Cc1ccc(N)c2cc(-n3ccc4ccncc43)ncc12.
What is the InChIKey of 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The InChIKey is RRACJAOZOIYBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11-2-3-15(18)13-8-17(20-9-14(11)13)21-7-5-12-4-6-19-10-16(12)21/h2-10H,18H2,1H3.
What are the key properties of 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine has a molecular weight of 274.33 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is sourced from PubChem (CID 144977078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).