6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one

C18H9Cl2F3N4O — CID 67219706

IUPAC6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one
SMILESO=C1Cc2cc(Cl)ccc2N=C1c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C18H9Cl2F3N4O/c19-10-3-4-12-9(6-10)7-14(28)16(25-12)13-8-15(18(21,22)23)26-27(13)17-11(20)2-1-5-24-17/h1-6,8H,7H2
InChIKeyFHKVVIVORBBXAG-UHFFFAOYSA-N
MW425.20 g/mol
LogP4.84
Rot. Bonds2

About 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one

6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one (PubChem CID 67219706) has the molecular formula C18H9Cl2F3N4O and a molecular weight of 425.20 g/mol. Its IUPAC name is 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one.

Molecular Properties

Compound Name6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one
PubChem CID67219706
Molecular FormulaC18H9Cl2F3N4O
Molecular Weight425.20 g/mol
Exact Mass424.01
IUPAC Name6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one
SMILESO=C1Cc2cc(Cl)ccc2N=C1c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C18H9Cl2F3N4O/c19-10-3-4-12-9(6-10)7-14(28)16(25-12)13-8-15(18(21,22)23)26-27(13)17-11(20)2-1-5-24-17/h1-6,8H,7H2
InChIKeyFHKVVIVORBBXAG-UHFFFAOYSA-N
XLogP4.84
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.20
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one?
The IUPAC name of 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one (CID 67219706) is 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one.
What is the SMILES notation for 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one?
The canonical SMILES for 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one is O=C1Cc2cc(Cl)ccc2N=C1c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one?
The InChIKey is FHKVVIVORBBXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F3N4O/c19-10-3-4-12-9(6-10)7-14(28)16(25-12)13-8-15(18(21,22)23)26-27(13)17-11(20)2-1-5-24-17/h1-6,8H,7H2.
What are the key properties of 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one?
6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one has a molecular weight of 425.20 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-quinolin-3-one is sourced from PubChem (CID 67219706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).