7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one

C13H12ClFN2O — CID 57066161

IUPAC7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one
SMILESCc1cn(C2CC2)c2c(F)c(N)c(Cl)cc2c1=O
InChIInChI=1S/C13H12ClFN2O/c1-6-5-17(7-2-3-7)12-8(13(6)18)4-9(14)11(16)10(12)15/h4-5,7H,2-3,16H2,1H3
InChIKeyFEPAKROAOQIUMC-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.02
Rot. Bonds1

About 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one

7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one (PubChem CID 57066161) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one.

Molecular Properties

Compound Name7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one
PubChem CID57066161
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one
SMILESCc1cn(C2CC2)c2c(F)c(N)c(Cl)cc2c1=O
InChIInChI=1S/C13H12ClFN2O/c1-6-5-17(7-2-3-7)12-8(13(6)18)4-9(14)11(16)10(12)15/h4-5,7H,2-3,16H2,1H3
InChIKeyFEPAKROAOQIUMC-UHFFFAOYSA-N
XLogP3.02
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(7-amino-1-cyclopropyl-6,8-difluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70448131
(6-chloro-1-cyclopropyl-8-fluoro-7-hydrazinyl-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70462754
1-cyclopropyl-6,8-difluoro-3-methyl-7-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)quinolin-4-one
CID 58326177
[6-chloro-1-cyclopropyl-8-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70412082
1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one
CID 70412294
(1-cyclopropyl-7,8-difluoro-5-methyl-4-oxoquinolin-3-yl) hydrogen carbonate
CID 67847641
(5-chloro-1-cyclopropyl-7,8-difluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 67847636
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carbonitrile
CID 14302347
7-(3-amino-2,2-dimethylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10021592
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
ethyl 1-cyclopropyl-7,8-difluoro-6-nitro-4-oxoquinoline-3-carboxylate
CID 139840412

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one?
The IUPAC name of 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one (CID 57066161) is 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one.
What is the SMILES notation for 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one?
The canonical SMILES for 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one is Cc1cn(C2CC2)c2c(F)c(N)c(Cl)cc2c1=O.
What is the InChIKey of 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one?
The InChIKey is FEPAKROAOQIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-6-5-17(7-2-3-7)12-8(13(6)18)4-9(14)11(16)10(12)15/h4-5,7H,2-3,16H2,1H3.
What are the key properties of 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one?
7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one has a molecular weight of 266.70 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one is sourced from PubChem (CID 57066161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).