7-chloro-6-fluoro-4aH-quinolin-4-one

C9H5ClFNO — CID 72740927

IUPAC7-chloro-6-fluoro-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=C(Cl)C(F)=CC12
InChIInChI=1S/C9H5ClFNO/c10-6-4-8-5(3-7(6)11)9(13)1-2-12-8/h1-5H
InChIKeyGUTMWMZMNCYJAW-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.13
Rot. Bonds

About 7-chloro-6-fluoro-4aH-quinolin-4-one

7-chloro-6-fluoro-4aH-quinolin-4-one (PubChem CID 72740927) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4aH-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-6-fluoro-4aH-quinolin-4-one
PubChem CID72740927
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name7-chloro-6-fluoro-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=C(Cl)C(F)=CC12
InChIInChI=1S/C9H5ClFNO/c10-6-4-8-5(3-7(6)11)9(13)1-2-12-8/h1-5H
InChIKeyGUTMWMZMNCYJAW-UHFFFAOYSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4aH-quinolin-4-one?
The IUPAC name of 7-chloro-6-fluoro-4aH-quinolin-4-one (CID 72740927) is 7-chloro-6-fluoro-4aH-quinolin-4-one.
What is the SMILES notation for 7-chloro-6-fluoro-4aH-quinolin-4-one?
The canonical SMILES for 7-chloro-6-fluoro-4aH-quinolin-4-one is O=C1C=CN=C2C=C(Cl)C(F)=CC12.
What is the InChIKey of 7-chloro-6-fluoro-4aH-quinolin-4-one?
The InChIKey is GUTMWMZMNCYJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-6-4-8-5(3-7(6)11)9(13)1-2-12-8/h1-5H.
What are the key properties of 7-chloro-6-fluoro-4aH-quinolin-4-one?
7-chloro-6-fluoro-4aH-quinolin-4-one has a molecular weight of 197.60 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-4aH-quinolin-4-one is sourced from PubChem (CID 72740927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).