5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one

C12H10Cl2FNO — CID 107577447

IUPAC5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one
SMILESCC(C)c1cc(=O)c2c(Cl)c(F)c(Cl)cc2[nH]1
InChIInChI=1S/C12H10Cl2FNO/c1-5(2)7-4-9(17)10-8(16-7)3-6(13)12(15)11(10)14/h3-5H,1-2H3,(H,16,17)
InChIKeyGWCZYPVVYIRLGZ-UHFFFAOYSA-N
MW274.12 g/mol
LogP4.10
Rot. Bonds1

About 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one

5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one (PubChem CID 107577447) has the molecular formula C12H10Cl2FNO and a molecular weight of 274.12 g/mol. Its IUPAC name is 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one
PubChem CID107577447
Molecular FormulaC12H10Cl2FNO
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one
SMILESCC(C)c1cc(=O)c2c(Cl)c(F)c(Cl)cc2[nH]1
InChIInChI=1S/C12H10Cl2FNO/c1-5(2)7-4-9(17)10-8(16-7)3-6(13)12(15)11(10)14/h3-5H,1-2H3,(H,16,17)
InChIKeyGWCZYPVVYIRLGZ-UHFFFAOYSA-N
XLogP4.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 107577450
5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one
CID 107593527
6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one
CID 107628024
5-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370193
2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
CID 62892262
4-chloro-2-propan-2-yl-1H-indol-5-ol
CID 84677338
5,7-dichloro-2-propan-2-yl-1H-indole
CID 164776982
4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one
CID 54144640
6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667984
6-chloro-2-propan-2-yl-1H-indole;ethane
CID 176573496
5,6,7-trifluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
CID 62914781
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one (CID 107577447) is 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one is CC(C)c1cc(=O)c2c(Cl)c(F)c(Cl)cc2[nH]1.
What is the InChIKey of 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one?
The InChIKey is GWCZYPVVYIRLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNO/c1-5(2)7-4-9(17)10-8(16-7)3-6(13)12(15)11(10)14/h3-5H,1-2H3,(H,16,17).
What are the key properties of 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one?
5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one has a molecular weight of 274.12 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 107577447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).