2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one

C12H9F2NO — CID 63357690

IUPAC2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2c(F)ccc(F)c12
InChIInChI=1S/C12H9F2NO/c13-7-3-4-8(14)12-11(7)10(16)5-9(15-12)6-1-2-6/h3-6H,1-2H2,(H,15,16)
InChIKeyQIUYHJDYLRYQAY-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.68
Rot. Bonds1

About 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one

2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one (PubChem CID 63357690) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one
PubChem CID63357690
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2c(F)ccc(F)c12
InChIInChI=1S/C12H9F2NO/c13-7-3-4-8(14)12-11(7)10(16)5-9(15-12)6-1-2-6/h3-6H,1-2H2,(H,15,16)
InChIKeyQIUYHJDYLRYQAY-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
2,6-Bis(trifluoromethyl)quinolin-4(1H)-one
CID 2736155
8-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775089
1,2,3,4-Tetrahydroacridone
CID 95996

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one?
The IUPAC name of 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one (CID 63357690) is 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one?
The canonical SMILES for 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one is O=c1cc(C2CC2)[nH]c2c(F)ccc(F)c12.
What is the InChIKey of 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one?
The InChIKey is QIUYHJDYLRYQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c13-7-3-4-8(14)12-11(7)10(16)5-9(15-12)6-1-2-6/h3-6H,1-2H2,(H,15,16).
What are the key properties of 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one?
2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one has a molecular weight of 221.21 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one is sourced from PubChem (CID 63357690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).