3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide

C22H25N3O3 — CID 46557320

IUPAC3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCC(OCCCNC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-17(18-8-3-2-4-9-18)28-15-7-13-23-21(26)12-14-25-16-24-20-11-6-5-10-19(20)22(25)27/h2-6,8-11,16-17H,7,12-15H2,1H3,(H,23,26)
InChIKeyVZPVQMJJGIVXHW-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.07
Rot. Bonds9

About 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide (PubChem CID 46557320) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
PubChem CID46557320
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCC(OCCCNC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-17(18-8-3-2-4-9-18)28-15-7-13-23-21(26)12-14-25-16-24-20-11-6-5-10-19(20)22(25)27/h2-6,8-11,16-17H,7,12-15H2,1H3,(H,23,26)
InChIKeyVZPVQMJJGIVXHW-UHFFFAOYSA-N
XLogP3.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46536850
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462485
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 111480037
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide (CID 46557320) is 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide is CC(OCCCNC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The InChIKey is VZPVQMJJGIVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-17(18-8-3-2-4-9-18)28-15-7-13-23-21(26)12-14-25-16-24-20-11-6-5-10-19(20)22(25)27/h2-6,8-11,16-17H,7,12-15H2,1H3,(H,23,26).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide is sourced from PubChem (CID 46557320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).