4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide

C30H24N2O3 — CID 118928930

IUPAC4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
SMILESCOc1cccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4O)cc3)c3cnccc23)c1
InChIInChI=1S/C30H24N2O3/c1-35-24-6-4-5-22(17-24)25-14-13-23(28-19-31-16-15-27(25)28)18-32-30(34)21-11-9-20(10-12-21)26-7-2-3-8-29(26)33/h2-17,19,33H,18H2,1H3,(H,32,34)
InChIKeyPXXGHCWTCAOACW-UHFFFAOYSA-N
MW460.53 g/mol
LogP6.21
Rot. Bonds6

About 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide

4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide (PubChem CID 118928930) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
PubChem CID118928930
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC Name4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
SMILESCOc1cccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4O)cc3)c3cnccc23)c1
InChIInChI=1S/C30H24N2O3/c1-35-24-6-4-5-22(17-24)25-14-13-23(28-19-31-16-15-27(25)28)18-32-30(34)21-11-9-20(10-12-21)26-7-2-3-8-29(26)33/h2-17,19,33H,18H2,1H3,(H,32,34)
InChIKeyPXXGHCWTCAOACW-UHFFFAOYSA-N
XLogP6.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
CID 42797606
5-bromo-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpyridine-3-carboxamide
CID 118916591
(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
CID 125465641
1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-methylphenyl)urea
CID 7261153
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 118916626
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118916555
5-(fluoromethyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 138510401
3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
CID 7439016
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide
CID 118916533
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 118928846
2-(3-bromophenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 118928938

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide (CID 118928930) is 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide is COc1cccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4O)cc3)c3cnccc23)c1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide?
The InChIKey is PXXGHCWTCAOACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c1-35-24-6-4-5-22(17-24)25-14-13-23(28-19-31-16-15-27(25)28)18-32-30(34)21-11-9-20(10-12-21)26-7-2-3-8-29(26)33/h2-17,19,33H,18H2,1H3,(H,32,34).
What are the key properties of 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide?
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide has a molecular weight of 460.53 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide is sourced from PubChem (CID 118928930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).