N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide

C21H20F2N4O — CID 2810132

IUPACN-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2ccccc2n1
InChIInChI=1S/C21H20F2N4O/c1-14-12-20(16-4-2-3-5-18(16)24-14)26-8-10-27(11-9-26)21(28)25-19-7-6-15(22)13-17(19)23/h2-7,12-13H,8-11H2,1H3,(H,25,28)
InChIKeyPUMMSADCQZDQQW-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.18
Rot. Bonds2

About N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide (PubChem CID 2810132) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide
PubChem CID2810132
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2ccccc2n1
InChIInChI=1S/C21H20F2N4O/c1-14-12-20(16-4-2-3-5-18(16)24-14)26-8-10-27(11-9-26)21(28)25-19-7-6-15(22)13-17(19)23/h2-7,12-13H,8-11H2,1H3,(H,25,28)
InChIKeyPUMMSADCQZDQQW-UHFFFAOYSA-N
XLogP4.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide (CID 2810132) is N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2ccccc2n1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide?
The InChIKey is PUMMSADCQZDQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-14-12-20(16-4-2-3-5-18(16)24-14)26-8-10-27(11-9-26)21(28)25-19-7-6-15(22)13-17(19)23/h2-7,12-13H,8-11H2,1H3,(H,25,28).
What are the key properties of N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 4.18, 2 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-(2-methylquinolin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2810132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).