N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide

C22H23FN4O — CID 24733593

IUPACN-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc3cccc(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C22H23FN4O/c1-2-24-22(28)27-14-12-26(13-15-27)20-11-8-17-4-3-5-19(21(17)25-20)16-6-9-18(23)10-7-16/h3-11H,2,12-15H2,1H3,(H,24,28)
InChIKeyVDOAFGABAVDFEC-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.89
Rot. Bonds3

About N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide

N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide (PubChem CID 24733593) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide
PubChem CID24733593
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc3cccc(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C22H23FN4O/c1-2-24-22(28)27-14-12-26(13-15-27)20-11-8-17-4-3-5-19(21(17)25-20)16-6-9-18(23)10-7-16/h3-11H,2,12-15H2,1H3,(H,24,28)
InChIKeyVDOAFGABAVDFEC-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide (CID 24733593) is N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide is CCNC(=O)N1CCN(c2ccc3cccc(-c4ccc(F)cc4)c3n2)CC1.
What is the InChIKey of N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide?
The InChIKey is VDOAFGABAVDFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-2-24-22(28)27-14-12-26(13-15-27)20-11-8-17-4-3-5-19(21(17)25-20)16-6-9-18(23)10-7-16/h3-11H,2,12-15H2,1H3,(H,24,28).
What are the key properties of N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide?
N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 24733593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).