3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one

C23H24N4O — CID 141056478

IUPAC3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one
SMILESCC(C)Cn1c(CN)c(-c2ccccc2)c2cc(-c3ncc[nH]3)ccc2c1=O
InChIInChI=1S/C23H24N4O/c1-15(2)14-27-20(13-24)21(16-6-4-3-5-7-16)19-12-17(22-25-10-11-26-22)8-9-18(19)23(27)28/h3-12,15H,13-14,24H2,1-2H3,(H,25,26)
InChIKeySOLRYQQIVZEEEU-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.17
Rot. Bonds5

About 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one

3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one (PubChem CID 141056478) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one
PubChem CID141056478
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one
SMILESCC(C)Cn1c(CN)c(-c2ccccc2)c2cc(-c3ncc[nH]3)ccc2c1=O
InChIInChI=1S/C23H24N4O/c1-15(2)14-27-20(13-24)21(16-6-4-3-5-7-16)19-12-17(22-25-10-11-26-22)8-9-18(19)23(27)28/h3-12,15H,13-14,24H2,1-2H3,(H,25,26)
InChIKeySOLRYQQIVZEEEU-UHFFFAOYSA-N
XLogP4.17
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide
CID 10255149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)piperidine-4-carboxamide
CID 16049824
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
(2S)-6-methyl-N-[(1S)-1-[5-(2-methyl-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 147833215
(3S,6S)-6-(6-oxooctyl)-22-oxa-5,8,18,26,33-pentazahexacyclo[24.2.2.17,10.111,15.114,18.01,3]tritriaconta-7,9,11(32),12,14,16-hexaene-4,31-dione
CID 155140207
(3S,6S)-6-(6-oxooctyl)-5,8,18,27,34-pentazahexacyclo[25.2.2.17,10.111,15.114,18.01,3]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione
CID 155140505
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310
4-[(2S)-2-amino-3-[benzyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide
CID 71449607

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one?
The IUPAC name of 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one (CID 141056478) is 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one.
What is the SMILES notation for 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one?
The canonical SMILES for 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one is CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(-c3ncc[nH]3)ccc2c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one?
The InChIKey is SOLRYQQIVZEEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15(2)14-27-20(13-24)21(16-6-4-3-5-7-16)19-12-17(22-25-10-11-26-22)8-9-18(19)23(27)28/h3-12,15H,13-14,24H2,1-2H3,(H,25,26).
What are the key properties of 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one?
3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one has a molecular weight of 372.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(1H-imidazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one is sourced from PubChem (CID 141056478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).