N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide

C21H20F2N4O — CID 11531051

IUPACN-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C21H20F2N4O/c22-17-5-6-20(18(23)12-17)25-21(28)27-9-7-26(8-10-27)14-15-11-16-3-1-2-4-19(16)24-13-15/h1-6,11-13H,7-10,14H2,(H,25,28)
InChIKeySYKGJXQGUJDCJG-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.86
Rot. Bonds3

About N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 11531051) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID11531051
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C21H20F2N4O/c22-17-5-6-20(18(23)12-17)25-21(28)27-9-7-26(8-10-27)14-15-11-16-3-1-2-4-19(16)24-13-15/h1-6,11-13H,7-10,14H2,(H,25,28)
InChIKeySYKGJXQGUJDCJG-UHFFFAOYSA-N
XLogP3.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide (CID 11531051) is N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN(Cc2cnc3ccccc3c2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SYKGJXQGUJDCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-17-5-6-20(18(23)12-17)25-21(28)27-9-7-26(8-10-27)14-15-11-16-3-1-2-4-19(16)24-13-15/h1-6,11-13H,7-10,14H2,(H,25,28).
What are the key properties of N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 11531051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).