7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one

C14H16FNO — CID 113363299

IUPAC7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one
SMILESCc1cc2c(=O)cc(CC(C)C)[nH]c2cc1F
InChIInChI=1S/C14H16FNO/c1-8(2)4-10-6-14(17)11-5-9(3)12(15)7-13(11)16-10/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyYXBUVPAUZXVIDM-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.17
Rot. Bonds2

About 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one

7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one (PubChem CID 113363299) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one
PubChem CID113363299
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one
SMILESCc1cc2c(=O)cc(CC(C)C)[nH]c2cc1F
InChIInChI=1S/C14H16FNO/c1-8(2)4-10-6-14(17)11-5-9(3)12(15)7-13(11)16-10/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyYXBUVPAUZXVIDM-UHFFFAOYSA-N
XLogP3.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one?
The IUPAC name of 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one (CID 113363299) is 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one.
What is the SMILES notation for 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one?
The canonical SMILES for 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one is Cc1cc2c(=O)cc(CC(C)C)[nH]c2cc1F.
What is the InChIKey of 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one?
The InChIKey is YXBUVPAUZXVIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-8(2)4-10-6-14(17)11-5-9(3)12(15)7-13(11)16-10/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one?
7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one has a molecular weight of 233.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-2-(2-methylpropyl)-1H-quinolin-4-one is sourced from PubChem (CID 113363299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).