2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide

C26H25N3O — CID 58958139

IUPAC2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(Nc2cccc(CC(=O)NCCc3ccccc3)c2)c2ccccc2n1
InChIInChI=1S/C26H25N3O/c1-19-16-25(23-12-5-6-13-24(23)28-19)29-22-11-7-10-21(17-22)18-26(30)27-15-14-20-8-3-2-4-9-20/h2-13,16-17H,14-15,18H2,1H3,(H,27,30)(H,28,29)
InChIKeyHSKDMXFZYXBOLJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.19
Rot. Bonds7

About 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide

2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide (PubChem CID 58958139) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide
PubChem CID58958139
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(Nc2cccc(CC(=O)NCCc3ccccc3)c2)c2ccccc2n1
InChIInChI=1S/C26H25N3O/c1-19-16-25(23-12-5-6-13-24(23)28-19)29-22-11-7-10-21(17-22)18-26(30)27-15-14-20-8-3-2-4-9-20/h2-13,16-17H,14-15,18H2,1H3,(H,27,30)(H,28,29)
InChIKeyHSKDMXFZYXBOLJ-UHFFFAOYSA-N
XLogP5.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958075
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide
CID 172561837
N-[2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958066
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
CID 84564619
N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine
CID 65029424
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide (CID 58958139) is 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide is Cc1cc(Nc2cccc(CC(=O)NCCc3ccccc3)c2)c2ccccc2n1.
What is the InChIKey of 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The InChIKey is HSKDMXFZYXBOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-16-25(23-12-5-6-13-24(23)28-19)29-22-11-7-10-21(17-22)18-26(30)27-15-14-20-8-3-2-4-9-20/h2-13,16-17H,14-15,18H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide?
2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 58958139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).