N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide

C29H31N3O3 — CID 42723382

IUPACN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(CC)C(=O)COc1ccccc1
InChIInChI=1S/C29H31N3O3/c1-5-25(31(6-2)27(33)19-35-22-12-8-7-9-13-22)28-30-24-15-11-10-14-23(24)29(34)32(28)26-17-16-20(3)18-21(26)4/h7-18,25H,5-6,19H2,1-4H3
InChIKeyPNZBMWRBOPIJKS-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.38
Rot. Bonds8

About N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide

N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide (PubChem CID 42723382) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide
PubChem CID42723382
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(CC)C(=O)COc1ccccc1
InChIInChI=1S/C29H31N3O3/c1-5-25(31(6-2)27(33)19-35-22-12-8-7-9-13-22)28-30-24-15-11-10-14-23(24)29(34)32(28)26-17-16-20(3)18-21(26)4/h7-18,25H,5-6,19H2,1-4H3
InChIKeyPNZBMWRBOPIJKS-UHFFFAOYSA-N
XLogP5.38
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42720542
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42719958
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylnaphthalene-2-carboxamide
CID 3935983
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide
CID 4688416
3-benzyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722246
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720251
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea
CID 3478926
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42720540
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
CID 42719271
3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
CID 42711270
ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42719134

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide?
The IUPAC name of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide (CID 42723382) is N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide?
The canonical SMILES for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(CC)C(=O)COc1ccccc1.
What is the InChIKey of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide?
The InChIKey is PNZBMWRBOPIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-5-25(31(6-2)27(33)19-35-22-12-8-7-9-13-22)28-30-24-15-11-10-14-23(24)29(34)32(28)26-17-16-20(3)18-21(26)4/h7-18,25H,5-6,19H2,1-4H3.
What are the key properties of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide?
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide has a molecular weight of 469.59 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide is sourced from PubChem (CID 42723382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).