N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide

C21H23N3O4 — CID 8935859

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
SMILESCOc1ccc(OCCNC(=O)CCc2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C21H23N3O4/c1-24-19(23-18-6-4-3-5-17(18)21(24)26)11-12-20(25)22-13-14-28-16-9-7-15(27-2)8-10-16/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyHILWAGWSDTYZJG-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.07
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide

N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide (PubChem CID 8935859) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
PubChem CID8935859
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
SMILESCOc1ccc(OCCNC(=O)CCc2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C21H23N3O4/c1-24-19(23-18-6-4-3-5-17(18)21(24)26)11-12-20(25)22-13-14-28-16-9-7-15(27-2)8-10-16/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyHILWAGWSDTYZJG-UHFFFAOYSA-N
XLogP2.07
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.07
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

N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9080818
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 110712301
[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933282
3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935081
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9077881
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 35772302

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide (CID 8935859) is N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide is COc1ccc(OCCNC(=O)CCc2nc3ccccc3c(=O)n2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The InChIKey is HILWAGWSDTYZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-24-19(23-18-6-4-3-5-17(18)21(24)26)11-12-20(25)22-13-14-28-16-9-7-15(27-2)8-10-16/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide has a molecular weight of 381.43 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide is sourced from PubChem (CID 8935859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).