5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one

C12H9ClF2N2O — CID 141081551

IUPAC5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one
SMILESNc1c(F)c(Cl)c(F)c2c1c(=O)ccn2C1CC1
InChIInChI=1S/C12H9ClF2N2O/c13-8-9(14)11(16)7-6(18)3-4-17(5-1-2-5)12(7)10(8)15/h3-5H,1-2,16H2
InChIKeyZQLIORGRCHPWIB-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.85
Rot. Bonds1

About 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one

5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one (PubChem CID 141081551) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one.

Molecular Properties

Compound Name5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one
PubChem CID141081551
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one
SMILESNc1c(F)c(Cl)c(F)c2c1c(=O)ccn2C1CC1
InChIInChI=1S/C12H9ClF2N2O/c13-8-9(14)11(16)7-6(18)3-4-17(5-1-2-5)12(7)10(8)15/h3-5H,1-2,16H2
InChIKeyZQLIORGRCHPWIB-UHFFFAOYSA-N
XLogP2.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one?
The IUPAC name of 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one (CID 141081551) is 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one.
What is the SMILES notation for 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one?
The canonical SMILES for 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one is Nc1c(F)c(Cl)c(F)c2c1c(=O)ccn2C1CC1.
What is the InChIKey of 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one?
The InChIKey is ZQLIORGRCHPWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c13-8-9(14)11(16)7-6(18)3-4-17(5-1-2-5)12(7)10(8)15/h3-5H,1-2,16H2.
What are the key properties of 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one?
5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one has a molecular weight of 270.67 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one is sourced from PubChem (CID 141081551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).