6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one

C17H11F2NO2 — CID 12004428

IUPAC6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one
SMILESCc1ccc(C(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)cc1
InChIInChI=1S/C17H11F2NO2/c1-9-2-4-10(5-3-9)16(21)13-8-20-15-12(17(13)22)6-11(18)7-14(15)19/h2-8H,1H3,(H,20,22)
InChIKeyGJUIMUVWAZWGHK-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.35
Rot. Bonds2

About 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one

6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one (PubChem CID 12004428) has the molecular formula C17H11F2NO2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one
PubChem CID12004428
Molecular FormulaC17H11F2NO2
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one
SMILESCc1ccc(C(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)cc1
InChIInChI=1S/C17H11F2NO2/c1-9-2-4-10(5-3-9)16(21)13-8-20-15-12(17(13)22)6-11(18)7-14(15)19/h2-8H,1H3,(H,20,22)
InChIKeyGJUIMUVWAZWGHK-UHFFFAOYSA-N
XLogP3.35
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one?
The IUPAC name of 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one (CID 12004428) is 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one.
What is the SMILES notation for 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one?
The canonical SMILES for 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one is Cc1ccc(C(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)cc1.
What is the InChIKey of 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one?
The InChIKey is GJUIMUVWAZWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2/c1-9-2-4-10(5-3-9)16(21)13-8-20-15-12(17(13)22)6-11(18)7-14(15)19/h2-8H,1H3,(H,20,22).
What are the key properties of 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one?
6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one has a molecular weight of 299.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3-(4-methylbenzoyl)-1H-quinolin-4-one is sourced from PubChem (CID 12004428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).