7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one

C12H9ClFNO — CID 57364107

IUPAC7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one
SMILESO=c1ccn(C2CC2)c2cc(Cl)c(F)cc12
InChIInChI=1S/C12H9ClFNO/c13-9-6-11-8(5-10(9)14)12(16)3-4-15(11)7-1-2-7/h3-7H,1-2H2
InChIKeyNREXQHIDTSQSLN-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.13
Rot. Bonds1

About 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one

7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one (PubChem CID 57364107) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one
PubChem CID57364107
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one
SMILESO=c1ccn(C2CC2)c2cc(Cl)c(F)cc12
InChIInChI=1S/C12H9ClFNO/c13-9-6-11-8(5-10(9)14)12(16)3-4-15(11)7-1-2-7/h3-7H,1-2H2
InChIKeyNREXQHIDTSQSLN-UHFFFAOYSA-N
XLogP3.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one?
The IUPAC name of 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one (CID 57364107) is 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one.
What is the SMILES notation for 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one?
The canonical SMILES for 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one is O=c1ccn(C2CC2)c2cc(Cl)c(F)cc12.
What is the InChIKey of 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one?
The InChIKey is NREXQHIDTSQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-9-6-11-8(5-10(9)14)12(16)3-4-15(11)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one?
7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one has a molecular weight of 237.66 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-6-fluoroquinolin-4-one is sourced from PubChem (CID 57364107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).