1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one

C17H16FNO — CID 105371718

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one
SMILESCc1ccc(F)cc1CN1CCC(=O)c2ccccc21
InChIInChI=1S/C17H16FNO/c1-12-6-7-14(18)10-13(12)11-19-9-8-17(20)15-4-2-3-5-16(15)19/h2-7,10H,8-9,11H2,1H3
InChIKeyIUIPUKUHGJEHLV-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.73
Rot. Bonds2

About 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one

1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one (PubChem CID 105371718) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one
PubChem CID105371718
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one
SMILESCc1ccc(F)cc1CN1CCC(=O)c2ccccc21
InChIInChI=1S/C17H16FNO/c1-12-6-7-14(18)10-13(12)11-19-9-8-17(20)15-4-2-3-5-16(15)19/h2-7,10H,8-9,11H2,1H3
InChIKeyIUIPUKUHGJEHLV-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one (CID 105371718) is 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one is Cc1ccc(F)cc1CN1CCC(=O)c2ccccc21.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one?
The InChIKey is IUIPUKUHGJEHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-6-7-14(18)10-13(12)11-19-9-8-17(20)15-4-2-3-5-16(15)19/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one?
1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one has a molecular weight of 269.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 105371718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).