7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline

C18H12ClFN4 — CID 162761066

IUPAC7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline
SMILESCn1cc(-c2ccnc3cc(Cl)ccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C18H12ClFN4/c1-24-10-15(18(23-24)16-5-3-12(20)9-22-16)13-6-7-21-17-8-11(19)2-4-14(13)17/h2-10H,1H3
InChIKeyVCIBSSNKLRHWTF-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.49
Rot. Bonds2

About 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline

7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline (PubChem CID 162761066) has the molecular formula C18H12ClFN4 and a molecular weight of 338.77 g/mol. Its IUPAC name is 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline
PubChem CID162761066
Molecular FormulaC18H12ClFN4
Molecular Weight338.77 g/mol
Exact Mass338.07
IUPAC Name7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline
SMILESCn1cc(-c2ccnc3cc(Cl)ccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C18H12ClFN4/c1-24-10-15(18(23-24)16-5-3-12(20)9-22-16)13-6-7-21-17-8-11(19)2-4-14(13)17/h2-10H,1H3
InChIKeyVCIBSSNKLRHWTF-UHFFFAOYSA-N
XLogP4.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline?
The IUPAC name of 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline (CID 162761066) is 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline?
The canonical SMILES for 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline is Cn1cc(-c2ccnc3cc(Cl)ccc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline?
The InChIKey is VCIBSSNKLRHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4/c1-24-10-15(18(23-24)16-5-3-12(20)9-22-16)13-6-7-21-17-8-11(19)2-4-14(13)17/h2-10H,1H3.
What are the key properties of 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline?
7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline has a molecular weight of 338.77 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]quinoline is sourced from PubChem (CID 162761066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).