N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide

C29H31N3O5 — CID 4688416

IUPACN-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCOC)C(=O)COc1ccccc1
InChIInChI=1S/C29H31N3O5/c1-4-24(31(18-19-35-2)27(33)20-37-21-12-6-5-7-13-21)28-30-23-15-9-8-14-22(23)29(34)32(28)25-16-10-11-17-26(25)36-3/h5-17,24H,4,18-20H2,1-3H3
InChIKeyALFFPWUBOZXRCA-UHFFFAOYSA-N
MW501.58 g/mol
LogP4.40
Rot. Bonds11

About N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide

N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide (PubChem CID 4688416) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide
PubChem CID4688416
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC NameN-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCOC)C(=O)COc1ccccc1
InChIInChI=1S/C29H31N3O5/c1-4-24(31(18-19-35-2)27(33)20-37-21-12-6-5-7-13-21)28-30-23-15-9-8-14-22(23)29(34)32(28)25-16-10-11-17-26(25)36-3/h5-17,24H,4,18-20H2,1-3H3
InChIKeyALFFPWUBOZXRCA-UHFFFAOYSA-N
XLogP4.40
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
CID 42721390
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide
CID 4695441
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
CID 42719271
3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide
CID 42728572
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
CID 42727606
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide
CID 42723382
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
CID 42723052
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide
CID 42722478
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 42657488
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2,2-diphenylacetamide
CID 42722470

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide (CID 4688416) is N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCOC)C(=O)COc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide?
The InChIKey is ALFFPWUBOZXRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O5/c1-4-24(31(18-19-35-2)27(33)20-37-21-12-6-5-7-13-21)28-30-23-15-9-8-14-22(23)29(34)32(28)25-16-10-11-17-26(25)36-3/h5-17,24H,4,18-20H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide?
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide has a molecular weight of 501.58 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide is sourced from PubChem (CID 4688416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).