2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide

C24H29N3O3 — CID 46860946

IUPAC2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O
InChIInChI=1S/C24H29N3O3/c1-4-5-8-14-26-23(29)20-12-6-7-13-21(20)27(24(26)30)16-22(28)25-19-11-9-10-18(15-19)17(2)3/h6-7,9-13,15,17H,4-5,8,14,16H2,1-3H3,(H,25,28)
InChIKeyOOEYDCDAMBCVTL-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.12
Rot. Bonds8

About 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide

2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 46860946) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID46860946
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O
InChIInChI=1S/C24H29N3O3/c1-4-5-8-14-26-23(29)20-12-6-7-13-21(20)27(24(26)30)16-22(28)25-19-11-9-10-18(15-19)17(2)3/h6-7,9-13,15,17H,4-5,8,14,16H2,1-3H3,(H,25,28)
InChIKeyOOEYDCDAMBCVTL-UHFFFAOYSA-N
XLogP4.12
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.12
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

2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 55480119
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762808
5-[2,4-dioxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]quinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50762879
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030767
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide (CID 46860946) is 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide is CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O.
What is the InChIKey of 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is OOEYDCDAMBCVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-5-8-14-26-23(29)20-12-6-7-13-21(20)27(24(26)30)16-22(28)25-19-11-9-10-18(15-19)17(2)3/h6-7,9-13,15,17H,4-5,8,14,16H2,1-3H3,(H,25,28).
What are the key properties of 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46860946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).