N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide

C24H21FN4O — CID 11188778

IUPACN-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide
SMILESO=C(Cc1ccc2ncccc2c1)Nc1cc(C2CC(c3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C24H21FN4O/c25-20-6-4-16(5-7-20)18-12-19(13-18)22-14-23(29-28-22)27-24(30)11-15-3-8-21-17(10-15)2-1-9-26-21/h1-10,14,18-19H,11-13H2,(H2,27,28,29,30)
InChIKeyIGQCXXSBALBFCZ-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.94
Rot. Bonds5

About N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide

N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide (PubChem CID 11188778) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide.

Molecular Properties

Compound NameN-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide
PubChem CID11188778
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC NameN-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide
SMILESO=C(Cc1ccc2ncccc2c1)Nc1cc(C2CC(c3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C24H21FN4O/c25-20-6-4-16(5-7-20)18-12-19(13-18)22-14-23(29-28-22)27-24(30)11-15-3-8-21-17(10-15)2-1-9-26-21/h1-10,14,18-19H,11-13H2,(H2,27,28,29,30)
InChIKeyIGQCXXSBALBFCZ-UHFFFAOYSA-N
XLogP4.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide?
The IUPAC name of N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide (CID 11188778) is N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide.
What is the SMILES notation for N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide?
The canonical SMILES for N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide is O=C(Cc1ccc2ncccc2c1)Nc1cc(C2CC(c3ccc(F)cc3)C2)[nH]n1.
What is the InChIKey of N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide?
The InChIKey is IGQCXXSBALBFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c25-20-6-4-16(5-7-20)18-12-19(13-18)22-14-23(29-28-22)27-24(30)11-15-3-8-21-17(10-15)2-1-9-26-21/h1-10,14,18-19H,11-13H2,(H2,27,28,29,30).
What are the key properties of N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide?
N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide has a molecular weight of 400.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide is sourced from PubChem (CID 11188778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).