2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

C23H27N5O2 — CID 46427247

IUPAC2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c29-22(17-28-18-25-21-10-5-4-9-20(21)23(28)30)24-11-6-12-26-13-15-27(16-14-26)19-7-2-1-3-8-19/h1-5,7-10,18H,6,11-17H2,(H,24,29)
InChIKeyZQRYUPILWGLJES-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.73
Rot. Bonds7

About 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 46427247) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID46427247
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c29-22(17-28-18-25-21-10-5-4-9-20(21)23(28)30)24-11-6-12-26-13-15-27(16-14-26)19-7-2-1-3-8-19/h1-5,7-10,18H,6,11-17H2,(H,24,29)
InChIKeyZQRYUPILWGLJES-UHFFFAOYSA-N
XLogP1.73
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448878
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134024203
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 46403234
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602441
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46295505
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-one
CID 4904361
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 135410394
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46426761
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 42572072

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 46427247) is 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is ZQRYUPILWGLJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-22(17-28-18-25-21-10-5-4-9-20(21)23(28)30)24-11-6-12-26-13-15-27(16-14-26)19-7-2-1-3-8-19/h1-5,7-10,18H,6,11-17H2,(H,24,29).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 46427247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).