2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide

C30H30N4O4 — CID 42768607

IUPAC2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C(=O)c4cc(OC)c5ccccc5n4)CC3)cc2)cc1
InChIInChI=1S/C30H30N4O4/c1-37-24-13-7-21(8-14-24)19-29(35)31-22-9-11-23(12-10-22)33-15-17-34(18-16-33)30(36)27-20-28(38-2)25-5-3-4-6-26(25)32-27/h3-14,20H,15-19H2,1-2H3,(H,31,35)
InChIKeyBONOZLUNGRGHTJ-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.40
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 42768607) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide
PubChem CID42768607
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C(=O)c4cc(OC)c5ccccc5n4)CC3)cc2)cc1
InChIInChI=1S/C30H30N4O4/c1-37-24-13-7-21(8-14-24)19-29(35)31-22-9-11-23(12-10-22)33-15-17-34(18-16-33)30(36)27-20-28(38-2)25-5-3-4-6-26(25)32-27/h3-14,20H,15-19H2,1-2H3,(H,31,35)
InChIKeyBONOZLUNGRGHTJ-UHFFFAOYSA-N
XLogP4.40
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]-4-pentylbenzamide
CID 4257991
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
2-chloro-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]-4-nitrobenzamide
CID 1057778
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110369690
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 58258441
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
(2,6-dichloro-3-methylphenyl) 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 89219554
2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
CID 42768636
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide (CID 42768607) is 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCN(C(=O)c4cc(OC)c5ccccc5n4)CC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is BONOZLUNGRGHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-37-24-13-7-21(8-14-24)19-29(35)31-22-9-11-23(12-10-22)33-15-17-34(18-16-33)30(36)27-20-28(38-2)25-5-3-4-6-26(25)32-27/h3-14,20H,15-19H2,1-2H3,(H,31,35).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 510.59 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 42768607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).