(1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine

C23H20ClN3 — CID 155564663

IUPAC(1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine
SMILESNC[C@H](Nc1nccc2ccc(-c3ccccc3Cl)cc12)c1ccccc1
InChIInChI=1S/C23H20ClN3/c24-21-9-5-4-8-19(21)18-11-10-16-12-13-26-23(20(16)14-18)27-22(15-25)17-6-2-1-3-7-17/h1-14,22H,15,25H2,(H,26,27)/t22-/m0/s1
InChIKeyOLNLSVGXEZKPAK-QFIPXVFZSA-N
MW373.89 g/mol
LogP5.67
Rot. Bonds5

About (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine

(1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine (PubChem CID 155564663) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine
PubChem CID155564663
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name(1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine
SMILESNC[C@H](Nc1nccc2ccc(-c3ccccc3Cl)cc12)c1ccccc1
InChIInChI=1S/C23H20ClN3/c24-21-9-5-4-8-19(21)18-11-10-16-12-13-26-23(20(16)14-18)27-22(15-25)17-6-2-1-3-7-17/h1-14,22H,15,25H2,(H,26,27)/t22-/m0/s1
InChIKeyOLNLSVGXEZKPAK-QFIPXVFZSA-N
XLogP5.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine?
The IUPAC name of (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine (CID 155564663) is (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine?
The canonical SMILES for (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine is NC[C@H](Nc1nccc2ccc(-c3ccccc3Cl)cc12)c1ccccc1.
What is the InChIKey of (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine?
The InChIKey is OLNLSVGXEZKPAK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20ClN3/c24-21-9-5-4-8-19(21)18-11-10-16-12-13-26-23(20(16)14-18)27-22(15-25)17-6-2-1-3-7-17/h1-14,22H,15,25H2,(H,26,27)/t22-/m0/s1.
What are the key properties of (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine?
(1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine has a molecular weight of 373.89 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 155564663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).