N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide

C21H29N5O4 — CID 55462485

IUPACN-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C21H29N5O4/c1-30-14-4-8-22-19(27)15-24-10-12-25(13-11-24)20(28)7-9-26-16-23-18-6-3-2-5-17(18)21(26)29/h2-3,5-6,16H,4,7-15H2,1H3,(H,22,27)
InChIKeyVAJIHBRQFGPQTA-UHFFFAOYSA-N
MW415.49 g/mol
LogP0.08
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 55462485) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
PubChem CID55462485
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC NameN-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C21H29N5O4/c1-30-14-4-8-22-19(27)15-24-10-12-25(13-11-24)20(28)7-9-26-16-23-18-6-3-2-5-17(18)21(26)29/h2-3,5-6,16H,4,7-15H2,1H3,(H,22,27)
InChIKeyVAJIHBRQFGPQTA-UHFFFAOYSA-N
XLogP0.08
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 90560987
N-(3-methoxypropyl)-2-[4-(4-oxo-3-phenylphthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 55427113
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
CID 3053772
N-(3-methoxypropyl)-2-[4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 55685915

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide (CID 55462485) is N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is VAJIHBRQFGPQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-30-14-4-8-22-19(27)15-24-10-12-25(13-11-24)20(28)7-9-26-16-23-18-6-3-2-5-17(18)21(26)29/h2-3,5-6,16H,4,7-15H2,1H3,(H,22,27).
What are the key properties of N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 0.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55462485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).