7-fluoro-2-propyl-4aH-quinolin-4-one

C12H12FNO — CID 74662016

IUPAC7-fluoro-2-propyl-4aH-quinolin-4-one
SMILESCCCC1=CC(=O)C2C=CC(F)=CC2=N1
InChIInChI=1S/C12H12FNO/c1-2-3-9-7-12(15)10-5-4-8(13)6-11(10)14-9/h4-7,10H,2-3H2,1H3
InChIKeyMBAFHLNBNBHBMQ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.73
Rot. Bonds2

About 7-fluoro-2-propyl-4aH-quinolin-4-one

7-fluoro-2-propyl-4aH-quinolin-4-one (PubChem CID 74662016) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 7-fluoro-2-propyl-4aH-quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-2-propyl-4aH-quinolin-4-one
PubChem CID74662016
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name7-fluoro-2-propyl-4aH-quinolin-4-one
SMILESCCCC1=CC(=O)C2C=CC(F)=CC2=N1
InChIInChI=1S/C12H12FNO/c1-2-3-9-7-12(15)10-5-4-8(13)6-11(10)14-9/h4-7,10H,2-3H2,1H3
InChIKeyMBAFHLNBNBHBMQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-propyl-4aH-quinolin-4-one?
The IUPAC name of 7-fluoro-2-propyl-4aH-quinolin-4-one (CID 74662016) is 7-fluoro-2-propyl-4aH-quinolin-4-one.
What is the SMILES notation for 7-fluoro-2-propyl-4aH-quinolin-4-one?
The canonical SMILES for 7-fluoro-2-propyl-4aH-quinolin-4-one is CCCC1=CC(=O)C2C=CC(F)=CC2=N1.
What is the InChIKey of 7-fluoro-2-propyl-4aH-quinolin-4-one?
The InChIKey is MBAFHLNBNBHBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-2-3-9-7-12(15)10-5-4-8(13)6-11(10)14-9/h4-7,10H,2-3H2,1H3.
What are the key properties of 7-fluoro-2-propyl-4aH-quinolin-4-one?
7-fluoro-2-propyl-4aH-quinolin-4-one has a molecular weight of 205.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-propyl-4aH-quinolin-4-one is sourced from PubChem (CID 74662016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).