4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide

C24H27FN4O3 — CID 162651620

IUPAC4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)Nc2ccc(Oc3ccc4[nH]c(=O)ccc4c3)c(F)c2)CC1
InChIInChI=1S/C24H27FN4O3/c1-24(2,3)29-12-10-28(11-13-29)23(31)26-17-5-8-21(19(25)15-17)32-18-6-7-20-16(14-18)4-9-22(30)27-20/h4-9,14-15H,10-13H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyHDZFLLUMEHTNOG-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.41
Rot. Bonds3

About 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide

4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide (PubChem CID 162651620) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide
PubChem CID162651620
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)Nc2ccc(Oc3ccc4[nH]c(=O)ccc4c3)c(F)c2)CC1
InChIInChI=1S/C24H27FN4O3/c1-24(2,3)29-12-10-28(11-13-29)23(31)26-17-5-8-21(19(25)15-17)32-18-6-7-20-16(14-18)4-9-22(30)27-20/h4-9,14-15H,10-13H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyHDZFLLUMEHTNOG-UHFFFAOYSA-N
XLogP4.41
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide (CID 162651620) is 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide is CC(C)(C)N1CCN(C(=O)Nc2ccc(Oc3ccc4[nH]c(=O)ccc4c3)c(F)c2)CC1.
What is the InChIKey of 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide?
The InChIKey is HDZFLLUMEHTNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-24(2,3)29-12-10-28(11-13-29)23(31)26-17-5-8-21(19(25)15-17)32-18-6-7-20-16(14-18)4-9-22(30)27-20/h4-9,14-15H,10-13H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide?
4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-fluoro-4-[(2-oxo-1H-quinolin-6-yl)oxy]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 162651620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).