2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride

C20H23ClN2O2 — CID 173089205

IUPAC2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride
SMILESCOc1ccc2c(=O)n(CCCN)c(C)c(-c3ccccc3)c2c1.Cl
InChIInChI=1S/C20H22N2O2.ClH/c1-14-19(15-7-4-3-5-8-15)18-13-16(24-2)9-10-17(18)20(23)22(14)12-6-11-21;/h3-5,7-10,13H,6,11-12,21H2,1-2H3;1H
InChIKeyITBHMRIGTMMMCT-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.76
Rot. Bonds5

About 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride

2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride (PubChem CID 173089205) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride
PubChem CID173089205
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride
SMILESCOc1ccc2c(=O)n(CCCN)c(C)c(-c3ccccc3)c2c1.Cl
InChIInChI=1S/C20H22N2O2.ClH/c1-14-19(15-7-4-3-5-8-15)18-13-16(24-2)9-10-17(18)20(23)22(14)12-6-11-21;/h3-5,7-10,13H,6,11-12,21H2,1-2H3;1H
InChIKeyITBHMRIGTMMMCT-UHFFFAOYSA-N
XLogP3.76
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypropyl)-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile
CID 143024278
3-(3-methoxycarbazol-9-yl)propan-1-amine
CID 153297207
3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride
CID 173089726
6-methoxy-1-oxo-4-phenyl-2-prop-2-enylisoquinoline-3-carbonitrile
CID 11174525
3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one
CID 22484567
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
CID 22484625
6-methoxy-1-oxo-4-phenyl-2-[2-(2-phenylethylamino)ethyl]isoquinoline-3-carbonitrile
CID 67014281
2-[2-(benzylamino)ethyl]-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile
CID 87236324
3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one
CID 22484801
N-[2-[3-[(dimethylamino)methyl]-6-methoxy-1-oxo-4-phenylisoquinolin-2-yl]ethyl]benzenesulfonamide
CID 10278155
3-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-6-methoxy-2-methyl-4-phenylisoquinolin-1-one;hydrochloride
CID 68517864
2-[3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropyl]isoindole-1,3-dione
CID 68518411

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride?
The IUPAC name of 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride (CID 173089205) is 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride.
What is the SMILES notation for 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride?
The canonical SMILES for 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride is COc1ccc2c(=O)n(CCCN)c(C)c(-c3ccccc3)c2c1.Cl.
What is the InChIKey of 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride?
The InChIKey is ITBHMRIGTMMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c1-14-19(15-7-4-3-5-8-15)18-13-16(24-2)9-10-17(18)20(23)22(14)12-6-11-21;/h3-5,7-10,13H,6,11-12,21H2,1-2H3;1H.
What are the key properties of 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride?
2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride is sourced from PubChem (CID 173089205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).