7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one

C13H16FNO2 — CID 61080701

IUPAC7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)C(O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C13H16FNO2/c1-7(2)13(17)9-5-8-3-4-12(16)15-11(8)6-10(9)14/h5-7,13,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyPDCJSSIAGCDJTG-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.40
Rot. Bonds2

About 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61080701) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID61080701
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)C(O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C13H16FNO2/c1-7(2)13(17)9-5-8-3-4-12(16)15-11(8)6-10(9)14/h5-7,13,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyPDCJSSIAGCDJTG-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one (CID 61080701) is 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one is CC(C)C(O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PDCJSSIAGCDJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-7(2)13(17)9-5-8-3-4-12(16)15-11(8)6-10(9)14/h5-7,13,17H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 237.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61080701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).