1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone

C18H16N2O — CID 702124

IUPAC1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H16N2O/c1-12-11-18(16-5-3-4-6-17(16)19-12)20-15-9-7-14(8-10-15)13(2)21/h3-11H,1-2H3,(H,19,20)
InChIKeyUBBKSXXYIVHEHC-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.49
Rot. Bonds3

About 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone

1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone (PubChem CID 702124) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone
PubChem CID702124
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H16N2O/c1-12-11-18(16-5-3-4-6-17(16)19-12)20-15-9-7-14(8-10-15)13(2)21/h3-11H,1-2H3,(H,19,20)
InChIKeyUBBKSXXYIVHEHC-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone (CID 702124) is 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone?
The InChIKey is UBBKSXXYIVHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-11-18(16-5-3-4-6-17(16)19-12)20-15-9-7-14(8-10-15)13(2)21/h3-11H,1-2H3,(H,19,20).
What are the key properties of 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone?
1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone has a molecular weight of 276.34 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylquinolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 702124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).