8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one

C24H22N2O — CID 144514912

IUPAC8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one
SMILESCCc1cc2cccc(-c3cccc(CN)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H22N2O/c1-2-20-15-19-10-7-13-22(18-9-6-8-17(14-18)16-25)23(19)24(27)26(20)21-11-4-3-5-12-21/h3-15H,2,16,25H2,1H3
InChIKeyHAJXJOMWWBWIKQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.68
Rot. Bonds4

About 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one

8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one (PubChem CID 144514912) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one
PubChem CID144514912
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one
SMILESCCc1cc2cccc(-c3cccc(CN)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H22N2O/c1-2-20-15-19-10-7-13-22(18-9-6-8-17(14-18)16-25)23(19)24(27)26(20)21-11-4-3-5-12-21/h3-15H,2,16,25H2,1H3
InChIKeyHAJXJOMWWBWIKQ-UHFFFAOYSA-N
XLogP4.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 71291771
3-ethyl-1-oxo-2-phenyl-8-[3-(sulfinatoamino)phenyl]isoquinoline
CID 123331490
8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 144514925
3-ethyl-8-[1-(oxan-4-yl)-6-oxo-3-pyridinyl]-2-phenylisoquinolin-1-one
CID 144543781
8-but-1-ynyl-3-ethyl-2-phenylisoquinolin-1-one
CID 144824176
3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide
CID 144514885
3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(3-ethylphenyl)-2-phenylisoquinolin-1-one
CID 146911121
2-chloro-5-methylpyrimidin-4-amine;ethane;3-ethyl-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one
CID 144543773
ethane;3-ethyl-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;5-pyridin-3-ylpyrimidine-2,4-diamine
CID 144543796
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one
CID 144543990
2,4-diaminopyrimidine-5-carboxylic acid;3-ethyl-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 144543729
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-8-(2-methylsulfanyl-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 144543869

Frequently Asked Questions

What is the IUPAC name of 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one?
The IUPAC name of 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one (CID 144514912) is 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one.
What is the SMILES notation for 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one?
The canonical SMILES for 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one is CCc1cc2cccc(-c3cccc(CN)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one?
The InChIKey is HAJXJOMWWBWIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-2-20-15-19-10-7-13-22(18-9-6-8-17(14-18)16-25)23(19)24(27)26(20)21-11-4-3-5-12-21/h3-15H,2,16,25H2,1H3.
What are the key properties of 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one?
8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one has a molecular weight of 354.45 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one is sourced from PubChem (CID 144514912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).