6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine

C23H19ClN4 — CID 134264281

IUPAC6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine
SMILESNc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C2=NCC(C3CC3)N2)cc1
InChIInChI=1S/C23H19ClN4/c24-18-9-8-17-12-26-22(25)19(20(17)11-18)10-3-14-1-4-16(5-2-14)23-27-13-21(28-23)15-6-7-15/h1-2,4-5,8-9,11-12,15,21H,6-7,13H2,(H2,25,26)(H,27,28)
InChIKeyHNXDXGWKWDGZLV-UHFFFAOYSA-N
MW386.89 g/mol
LogP4.00
Rot. Bonds2

About 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine

6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine (PubChem CID 134264281) has the molecular formula C23H19ClN4 and a molecular weight of 386.89 g/mol. Its IUPAC name is 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine.

Molecular Properties

Compound Name6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine
PubChem CID134264281
Molecular FormulaC23H19ClN4
Molecular Weight386.89 g/mol
Exact Mass386.13
IUPAC Name6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine
SMILESNc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C2=NCC(C3CC3)N2)cc1
InChIInChI=1S/C23H19ClN4/c24-18-9-8-17-12-26-22(25)19(20(17)11-18)10-3-14-1-4-16(5-2-14)23-27-13-21(28-23)15-6-7-15/h1-2,4-5,8-9,11-12,15,21H,6-7,13H2,(H2,25,26)(H,27,28)
InChIKeyHNXDXGWKWDGZLV-UHFFFAOYSA-N
XLogP4.00
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine with MolForge

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Related Compounds

N-(4-Chloro-7-p-tolyl-isoquinolin-1-yl)-guanidine
CID 44339119
6-Chloro-4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine
CID 134264197
6-chloro-4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine
CID 134264374
6-Chloro-4-[2-[4-[1-(2-piperidin-1-ylethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethynyl]isoquinolin-3-amine
CID 134264397
4-[(E)-2-(3-amino-6-chloroisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide
CID 137645364
N-(4-Chloro-7-phenyl-isoquinolin-1-yl)-guanidine
CID 44339118
6-[[2-(3,4-Dichlorophenyl)ethylamino]methyl]isoquinolin-1-amine
CID 53320703
3-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-N'-hydroxybenzenecarboximidamide
CID 137638023
4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-N'-hydroxybenzenecarboximidamide
CID 137650540
4-[2-(3-Amino-6-chloroisoquinolin-4-yl)ethynyl]benzonitrile
CID 134264260
(1R)-N-[7-(2-chlorophenyl)isoquinolin-1-yl]-1-phenylethane-1,2-diamine
CID 155564663
N-[2-(4-chlorophenyl)ethyl]isoquinolin-1-amine
CID 45486914

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine?
The IUPAC name of 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine (CID 134264281) is 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine.
What is the SMILES notation for 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine?
The canonical SMILES for 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine is Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C2=NCC(C3CC3)N2)cc1.
What is the InChIKey of 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine?
The InChIKey is HNXDXGWKWDGZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4/c24-18-9-8-17-12-26-22(25)19(20(17)11-18)10-3-14-1-4-16(5-2-14)23-27-13-21(28-23)15-6-7-15/h1-2,4-5,8-9,11-12,15,21H,6-7,13H2,(H2,25,26)(H,27,28).
What are the key properties of 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine?
6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine has a molecular weight of 386.89 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine is sourced from PubChem (CID 134264281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).