(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide

C26H24N2O2 — CID 125465641

IUPAC(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
SMILESCOc1cccc(-c2ccc(CNC(=O)[C@H](C)c3ccccc3)c3cnccc23)c1
InChIInChI=1S/C26H24N2O2/c1-18(19-7-4-3-5-8-19)26(29)28-16-21-11-12-23(24-13-14-27-17-25(21)24)20-9-6-10-22(15-20)30-2/h3-15,17-18H,16H2,1-2H3,(H,28,29)/t18-/m1/s1
InChIKeyDAUSQIXCJGYVNX-GOSISDBHSA-N
MW396.49 g/mol
LogP5.33
Rot. Bonds6

About (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide

(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide (PubChem CID 125465641) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
PubChem CID125465641
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
SMILESCOc1cccc(-c2ccc(CNC(=O)[C@H](C)c3ccccc3)c3cnccc23)c1
InChIInChI=1S/C26H24N2O2/c1-18(19-7-4-3-5-8-19)26(29)28-16-21-11-12-23(24-13-14-27-17-25(21)24)20-9-6-10-22(15-20)30-2/h3-15,17-18H,16H2,1-2H3,(H,28,29)/t18-/m1/s1
InChIKeyDAUSQIXCJGYVNX-GOSISDBHSA-N
XLogP5.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide
CID 118916533
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
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 118916626
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930
5-bromo-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpyridine-3-carboxamide
CID 118916591
1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-methylphenyl)urea
CID 7261153
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
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 118928846
3-[2-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]-2-oxoethyl]-3-phenylpyrrolidine-1-carboxylic acid
CID 138503531
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 (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide?
The IUPAC name of (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide (CID 125465641) is (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide is COc1cccc(-c2ccc(CNC(=O)[C@H](C)c3ccccc3)c3cnccc23)c1.
What is the InChIKey of (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide?
The InChIKey is DAUSQIXCJGYVNX-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18(19-7-4-3-5-8-19)26(29)28-16-21-11-12-23(24-13-14-27-17-25(21)24)20-9-6-10-22(15-20)30-2/h3-15,17-18H,16H2,1-2H3,(H,28,29)/t18-/m1/s1.
What are the key properties of (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide?
(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide has a molecular weight of 396.49 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 125465641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).