N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

C18H16N4 — CID 155584602

IUPACN,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
SMILESCN(C)c1cccc2cnc(-n3ccc4ccncc43)cc12
InChIInChI=1S/C18H16N4/c1-21(2)16-5-3-4-14-11-20-18(10-15(14)16)22-9-7-13-6-8-19-12-17(13)22/h3-12H,1-2H3
InChIKeyJYDAVSOVRWXPLQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.64
Rot. Bonds2

About N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (PubChem CID 155584602) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
PubChem CID155584602
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC NameN,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
SMILESCN(C)c1cccc2cnc(-n3ccc4ccncc43)cc12
InChIInChI=1S/C18H16N4/c1-21(2)16-5-3-4-14-11-20-18(10-15(14)16)22-9-7-13-6-8-19-12-17(13)22/h3-12H,1-2H3
InChIKeyJYDAVSOVRWXPLQ-UHFFFAOYSA-N
XLogP3.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The IUPAC name of N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (CID 155584602) is N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.
What is the SMILES notation for N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The canonical SMILES for N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is CN(C)c1cccc2cnc(-n3ccc4ccncc43)cc12.
What is the InChIKey of N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The InChIKey is JYDAVSOVRWXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-21(2)16-5-3-4-14-11-20-18(10-15(14)16)22-9-7-13-6-8-19-12-17(13)22/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine has a molecular weight of 288.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is sourced from PubChem (CID 155584602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).