5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one

C14H16FNO — CID 167557724

IUPAC5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one
SMILESCC1(C)Nc2cc(F)cc(C3CC3)c2CC1=O
InChIInChI=1S/C14H16FNO/c1-14(2)13(17)7-11-10(8-3-4-8)5-9(15)6-12(11)16-14/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyJXTNQDBKEQFBRH-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.02
Rot. Bonds1

About 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one

5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one (PubChem CID 167557724) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one.

Molecular Properties

Compound Name5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one
PubChem CID167557724
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one
SMILESCC1(C)Nc2cc(F)cc(C3CC3)c2CC1=O
InChIInChI=1S/C14H16FNO/c1-14(2)13(17)7-11-10(8-3-4-8)5-9(15)6-12(11)16-14/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyJXTNQDBKEQFBRH-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one?
The IUPAC name of 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one (CID 167557724) is 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one.
What is the SMILES notation for 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one?
The canonical SMILES for 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one is CC1(C)Nc2cc(F)cc(C3CC3)c2CC1=O.
What is the InChIKey of 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one?
The InChIKey is JXTNQDBKEQFBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-14(2)13(17)7-11-10(8-3-4-8)5-9(15)6-12(11)16-14/h5-6,8,16H,3-4,7H2,1-2H3.
What are the key properties of 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one?
5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one has a molecular weight of 233.29 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one is sourced from PubChem (CID 167557724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).