3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one

C23H18N2O3 — CID 1364704

IUPAC3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one
SMILESCOc1ccc(-n2c(O)c(/C=N/c3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-28-18-13-11-17(12-14-18)25-22(26)20-10-6-5-9-19(20)21(23(25)27)15-24-16-7-3-2-4-8-16/h2-15,27H,1H3/b24-15+
InChIKeyJVFNNBVEROVMBT-BUVRLJJBSA-N
MW370.41 g/mol
LogP4.46
Rot. Bonds4

About 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one

3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one (PubChem CID 1364704) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one
PubChem CID1364704
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one
SMILESCOc1ccc(-n2c(O)c(/C=N/c3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-28-18-13-11-17(12-14-18)25-22(26)20-10-6-5-9-19(20)21(23(25)27)15-24-16-7-3-2-4-8-16/h2-15,27H,1H3/b24-15+
InChIKeyJVFNNBVEROVMBT-BUVRLJJBSA-N
XLogP4.46
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
(4Z)-6-[(4-methoxyphenyl)amino]-4-({[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CID 135875725
(4Z)-4-[({4-[(dimethylamino)methyl]phenyl}amino)methylidene]-6-[(4-methoxyphenyl)amino]-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CID 135875751
4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 708934
4-[(4-Methoxyanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione
CID 2866203
(4Z)-4-[({4-[(dimethylamino)methyl]phenyl}amino)methylidene]-6-[(3-methoxyphenyl)amino]-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CID 135875750
N-[3-(dimethylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 15993462
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethoxy-phenyl)-benzamide
CID 1106360
3-(4-methoxyphenyl)-2-(4-methylphenyl)quinazolin-4(3H)-one
CID 1895093
6-(4-Methoxyphenyl)-5H-dibenzo[c,E]azepine-5,7(6H)-dione
CID 591025
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
2-[4-[4-(4-Methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one
CID 44582112

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one?
The IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one (CID 1364704) is 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one?
The canonical SMILES for 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one is COc1ccc(-n2c(O)c(/C=N/c3ccccc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one?
The InChIKey is JVFNNBVEROVMBT-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-18-13-11-17(12-14-18)25-22(26)20-10-6-5-9-19(20)21(23(25)27)15-24-16-7-3-2-4-8-16/h2-15,27H,1H3/b24-15+.
What are the key properties of 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one?
3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one has a molecular weight of 370.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methoxyphenyl)-4-(phenyliminomethyl)isoquinolin-1-one is sourced from PubChem (CID 1364704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).