N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide

C26H28N4O4 — CID 22184925

IUPACN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)c3cc(OC)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C26H28N4O4/c1-3-18-8-10-19(11-9-18)26(33)30-14-12-29(13-15-30)24(31)17-27-25(32)22-16-23(34-2)20-6-4-5-7-21(20)28-22/h4-11,16H,3,12-15,17H2,1-2H3,(H,27,32)
InChIKeyVKVHTHUODNMEAT-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.52
Rot. Bonds6

About N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide

N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide (PubChem CID 22184925) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
PubChem CID22184925
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)c3cc(OC)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C26H28N4O4/c1-3-18-8-10-19(11-9-18)26(33)30-14-12-29(13-15-30)24(31)17-27-25(32)22-16-23(34-2)20-6-4-5-7-21(20)28-22/h4-11,16H,3,12-15,17H2,1-2H3,(H,27,32)
InChIKeyVKVHTHUODNMEAT-UHFFFAOYSA-N
XLogP2.52
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-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-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide (CID 22184925) is N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide is CCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)c3cc(OC)c4ccccc4n3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The InChIKey is VKVHTHUODNMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-3-18-8-10-19(11-9-18)26(33)30-14-12-29(13-15-30)24(31)17-27-25(32)22-16-23(34-2)20-6-4-5-7-21(20)28-22/h4-11,16H,3,12-15,17H2,1-2H3,(H,27,32).
What are the key properties of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 22184925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).