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

C18H17N3O — CID 685136

IUPACN-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C18H17N3O/c1-12-11-18(21-17-6-4-3-5-16(12)17)20-15-9-7-14(8-10-15)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyMYOHPIYKOQYHPU-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.25
Rot. Bonds3

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

N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide (PubChem CID 685136) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide
PubChem CID685136
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C18H17N3O/c1-12-11-18(21-17-6-4-3-5-16(12)17)20-15-9-7-14(8-10-15)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyMYOHPIYKOQYHPU-UHFFFAOYSA-N
XLogP4.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide (CID 685136) is N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(C)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide?
The InChIKey is MYOHPIYKOQYHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-11-18(21-17-6-4-3-5-16(12)17)20-15-9-7-14(8-10-15)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide?
N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylquinolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 685136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).