1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one

C13H11F2NO — CID 53422423

IUPAC1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one
SMILESCc1c(F)c(F)cc2c(=O)ccn(C3CC3)c12
InChIInChI=1S/C13H11F2NO/c1-7-12(15)10(14)6-9-11(17)4-5-16(13(7)9)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyDQIOJVYKKSEGOW-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.92
Rot. Bonds1

About 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one

1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one (PubChem CID 53422423) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one
PubChem CID53422423
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one
SMILESCc1c(F)c(F)cc2c(=O)ccn(C3CC3)c12
InChIInChI=1S/C13H11F2NO/c1-7-12(15)10(14)6-9-11(17)4-5-16(13(7)9)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyDQIOJVYKKSEGOW-UHFFFAOYSA-N
XLogP2.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one?
The IUPAC name of 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one (CID 53422423) is 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one?
The canonical SMILES for 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one is Cc1c(F)c(F)cc2c(=O)ccn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one?
The InChIKey is DQIOJVYKKSEGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-7-12(15)10(14)6-9-11(17)4-5-16(13(7)9)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one?
1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one has a molecular weight of 235.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,7-difluoro-8-methylquinolin-4-one is sourced from PubChem (CID 53422423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).