N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide

C28H33N5O3 — CID 22426964

IUPACN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C28H33N5O3/c1-21-19-26(32-15-17-36-18-16-32)30-25-8-7-22(20-24(21)25)29-27(34)9-10-28(35)33-13-11-31(12-14-33)23-5-3-2-4-6-23/h2-8,19-20H,9-18H2,1H3,(H,29,34)
InChIKeyKBZVFICNXBPKEB-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.45
Rot. Bonds6

About N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide

N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide (PubChem CID 22426964) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
PubChem CID22426964
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC NameN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C28H33N5O3/c1-21-19-26(32-15-17-36-18-16-32)30-25-8-7-22(20-24(21)25)29-27(34)9-10-28(35)33-13-11-31(12-14-33)23-5-3-2-4-6-23/h2-8,19-20H,9-18H2,1H3,(H,29,34)
InChIKeyKBZVFICNXBPKEB-UHFFFAOYSA-N
XLogP3.45
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide 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-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide (CID 22426964) is N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide is Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc12.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The InChIKey is KBZVFICNXBPKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-21-19-26(32-15-17-36-18-16-32)30-25-8-7-22(20-24(21)25)29-27(34)9-10-28(35)33-13-11-31(12-14-33)23-5-3-2-4-6-23/h2-8,19-20H,9-18H2,1H3,(H,29,34).
What are the key properties of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide has a molecular weight of 487.60 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide is sourced from PubChem (CID 22426964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).