7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine

C16H11IN4 — CID 118585733

IUPAC7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine
SMILESNc1c(I)ccc2cc(-n3ccc4ccncc43)ncc12
InChIInChI=1S/C16H11IN4/c17-13-2-1-11-7-15(20-8-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2
InChIKeyGXYFXCXEWJOKHC-UHFFFAOYSA-N
MW386.20 g/mol
LogP3.76
Rot. Bonds1

About 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine

7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine (PubChem CID 118585733) has the molecular formula C16H11IN4 and a molecular weight of 386.20 g/mol. Its IUPAC name is 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine.

Molecular Properties

Compound Name7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine
PubChem CID118585733
Molecular FormulaC16H11IN4
Molecular Weight386.20 g/mol
Exact Mass386.00
IUPAC Name7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine
SMILESNc1c(I)ccc2cc(-n3ccc4ccncc43)ncc12
InChIInChI=1S/C16H11IN4/c17-13-2-1-11-7-15(20-8-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2
InChIKeyGXYFXCXEWJOKHC-UHFFFAOYSA-N
XLogP3.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine?
The IUPAC name of 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine (CID 118585733) is 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine.
What is the SMILES notation for 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine?
The canonical SMILES for 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine is Nc1c(I)ccc2cc(-n3ccc4ccncc43)ncc12.
What is the InChIKey of 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine?
The InChIKey is GXYFXCXEWJOKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN4/c17-13-2-1-11-7-15(20-8-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2.
What are the key properties of 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine?
7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine has a molecular weight of 386.20 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine is sourced from PubChem (CID 118585733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).