N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine

C23H15ClN4 — CID 42609931

IUPACN-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine
SMILESClc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
InChIInChI=1S/C23H15ClN4/c24-16-8-10-17(11-9-16)26-23-21-6-2-1-5-20(21)22(27-28-23)19-7-3-4-15-14-25-13-12-18(15)19/h1-14H,(H,26,28)
InChIKeyRXWBASVYZOFLRF-UHFFFAOYSA-N
MW382.85 g/mol
LogP6.24
Rot. Bonds3

About N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine

N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine (PubChem CID 42609931) has the molecular formula C23H15ClN4 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine
PubChem CID42609931
Molecular FormulaC23H15ClN4
Molecular Weight382.85 g/mol
Exact Mass382.10
IUPAC NameN-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine
SMILESClc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
InChIInChI=1S/C23H15ClN4/c24-16-8-10-17(11-9-16)26-23-21-6-2-1-5-20(21)22(27-28-23)19-7-3-4-15-14-25-13-12-18(15)19/h1-14H,(H,26,28)
InChIKeyRXWBASVYZOFLRF-UHFFFAOYSA-N
XLogP6.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine (CID 42609931) is N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine is Clc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine?
The InChIKey is RXWBASVYZOFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4/c24-16-8-10-17(11-9-16)26-23-21-6-2-1-5-20(21)22(27-28-23)19-7-3-4-15-14-25-13-12-18(15)19/h1-14H,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine?
N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine has a molecular weight of 382.85 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine is sourced from PubChem (CID 42609931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).