3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride

C18H18Cl2N2O2 — CID 22175765

IUPAC3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride
SMILESCl.Cn1c(CN)c(OCc2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H17ClN2O2.ClH/c1-21-16(10-20)17(23-11-12-5-3-2-4-6-12)15-9-13(19)7-8-14(15)18(21)22;/h2-9H,10-11,20H2,1H3;1H
InChIKeyIKWWVLNFQDTZDV-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.65
Rot. Bonds4

About 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride

3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride (PubChem CID 22175765) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride
PubChem CID22175765
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride
SMILESCl.Cn1c(CN)c(OCc2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H17ClN2O2.ClH/c1-21-16(10-20)17(23-11-12-5-3-2-4-6-12)15-9-13(19)7-8-14(15)18(21)22;/h2-9H,10-11,20H2,1H3;1H
InChIKeyIKWWVLNFQDTZDV-UHFFFAOYSA-N
XLogP3.65
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride (CID 22175765) is 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride is Cl.Cn1c(CN)c(OCc2ccccc2)c2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride?
The InChIKey is IKWWVLNFQDTZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2.ClH/c1-21-16(10-20)17(23-11-12-5-3-2-4-6-12)15-9-13(19)7-8-14(15)18(21)22;/h2-9H,10-11,20H2,1H3;1H.
What are the key properties of 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride?
3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride has a molecular weight of 365.26 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride is sourced from PubChem (CID 22175765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).