1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone

C17H13FN2O — CID 39850737

IUPAC1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1ccnc2ccc(F)cc12
InChIInChI=1S/C17H13FN2O/c1-11(21)13-4-2-3-5-16(13)20-17-8-9-19-15-7-6-12(18)10-14(15)17/h2-10H,1H3,(H,19,20)
InChIKeyMDJZYVZJOSZEEZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.32
Rot. Bonds3

About 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone

1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone (PubChem CID 39850737) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
PubChem CID39850737
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1ccnc2ccc(F)cc12
InChIInChI=1S/C17H13FN2O/c1-11(21)13-4-2-3-5-16(13)20-17-8-9-19-15-7-6-12(18)10-14(15)17/h2-10H,1H3,(H,19,20)
InChIKeyMDJZYVZJOSZEEZ-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone (CID 39850737) is 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone is CC(=O)c1ccccc1Nc1ccnc2ccc(F)cc12.
What is the InChIKey of 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone?
The InChIKey is MDJZYVZJOSZEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11(21)13-4-2-3-5-16(13)20-17-8-9-19-15-7-6-12(18)10-14(15)17/h2-10H,1H3,(H,19,20).
What are the key properties of 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone?
1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone has a molecular weight of 280.30 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 39850737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).