3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide

C22H25N3O3 — CID 24682780

IUPAC3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCCCOCc3ccccc3)cnc12
InChIInChI=1S/C22H25N3O3/c1-17-7-5-10-19-21(17)24-16-25(22(19)27)13-11-20(26)23-12-6-14-28-15-18-8-3-2-4-9-18/h2-5,7-10,16H,6,11-15H2,1H3,(H,23,26)
InChIKeyXVXWNBYLPHSDSZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.82
Rot. Bonds9

About 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide

3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide (PubChem CID 24682780) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide.

Molecular Properties

Compound Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
PubChem CID24682780
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCCCOCc3ccccc3)cnc12
InChIInChI=1S/C22H25N3O3/c1-17-7-5-10-19-21(17)24-16-25(22(19)27)13-11-20(26)23-12-6-14-28-15-18-8-3-2-4-9-18/h2-5,7-10,16H,6,11-15H2,1H3,(H,23,26)
InChIKeyXVXWNBYLPHSDSZ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55619017
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46433793
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39394609
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446827
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide?
The IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide (CID 24682780) is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide.
What is the SMILES notation for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide?
The canonical SMILES for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide is Cc1cccc2c(=O)n(CCC(=O)NCCCOCc3ccccc3)cnc12.
What is the InChIKey of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide?
The InChIKey is XVXWNBYLPHSDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-17-7-5-10-19-21(17)24-16-25(22(19)27)13-11-20(26)23-12-6-14-28-15-18-8-3-2-4-9-18/h2-5,7-10,16H,6,11-15H2,1H3,(H,23,26).
What are the key properties of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide?
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide is sourced from PubChem (CID 24682780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).