5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide

C27H34N4O4 — CID 50763120

IUPAC5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCC(C)C)c(=O)c3ccccc32)cc1
InChIInChI=1S/C27H34N4O4/c1-4-20-12-14-21(15-13-20)29-25(33)18-31-23-10-6-5-9-22(23)26(34)30(27(31)35)16-8-7-11-24(32)28-17-19(2)3/h5-6,9-10,12-15,19H,4,7-8,11,16-18H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyONMKGGUMDGJRHB-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.31
Rot. Bonds11

About 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide

5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide (PubChem CID 50763120) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide
PubChem CID50763120
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCC(C)C)c(=O)c3ccccc32)cc1
InChIInChI=1S/C27H34N4O4/c1-4-20-12-14-21(15-13-20)29-25(33)18-31-23-10-6-5-9-22(23)26(34)30(27(31)35)16-8-7-11-24(32)28-17-19(2)3/h5-6,9-10,12-15,19H,4,7-8,11,16-18H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyONMKGGUMDGJRHB-UHFFFAOYSA-N
XLogP3.31
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-[2-(2-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763135
5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50763028
5-[2,4-dioxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]quinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50762879
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
methyl 4-[[2-[2,4-dioxo-3-[5-oxo-5-(propan-2-ylamino)pentyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 27371261
5-[2,4-dioxo-1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]quinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763343
5-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762916
N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030767
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762797
2-[4-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762454
N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50762987

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide?
The IUPAC name of 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide (CID 50763120) is 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide is CCc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCC(C)C)c(=O)c3ccccc32)cc1.
What is the InChIKey of 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide?
The InChIKey is ONMKGGUMDGJRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-4-20-12-14-21(15-13-20)29-25(33)18-31-23-10-6-5-9-22(23)26(34)30(27(31)35)16-8-7-11-24(32)28-17-19(2)3/h5-6,9-10,12-15,19H,4,7-8,11,16-18H2,1-3H3,(H,28,32)(H,29,33).
What are the key properties of 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide?
5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide has a molecular weight of 478.59 g/mol, XLogP of 3.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 50763120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).