N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine

C18H17N3 — CID 80648918

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine
SMILESc1cc2c(c(CNc3cccc4ccncc34)c1)NCC2
InChIInChI=1S/C18H17N3/c1-4-14-8-10-20-18(14)15(5-1)11-21-17-6-2-3-13-7-9-19-12-16(13)17/h1-7,9,12,20-21H,8,10-11H2
InChIKeyRHCGSRMHFZKXNJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.81
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine (PubChem CID 80648918) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine
PubChem CID80648918
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine
SMILESc1cc2c(c(CNc3cccc4ccncc34)c1)NCC2
InChIInChI=1S/C18H17N3/c1-4-14-8-10-20-18(14)15(5-1)11-21-17-6-2-3-13-7-9-19-12-16(13)17/h1-7,9,12,20-21H,8,10-11H2
InChIKeyRHCGSRMHFZKXNJ-UHFFFAOYSA-N
XLogP3.81
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine (CID 80648918) is N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine is c1cc2c(c(CNc3cccc4ccncc34)c1)NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine?
The InChIKey is RHCGSRMHFZKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-4-14-8-10-20-18(14)15(5-1)11-21-17-6-2-3-13-7-9-19-12-16(13)17/h1-7,9,12,20-21H,8,10-11H2.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine has a molecular weight of 275.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine is sourced from PubChem (CID 80648918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).