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

C26H31ClN4O4 — CID 50763028

IUPAC5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C26H31ClN4O4/c1-18(2)14-15-28-23(32)9-5-6-16-30-25(34)21-7-3-4-8-22(21)31(26(30)35)17-24(33)29-20-12-10-19(27)11-13-20/h3-4,7-8,10-13,18H,5-6,9,14-17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyUOZQWQYPHLTXRY-UHFFFAOYSA-N
MW499.01 g/mol
LogP3.79
Rot. Bonds11

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

5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide (PubChem CID 50763028) has the molecular formula C26H31ClN4O4 and a molecular weight of 499.01 g/mol. Its IUPAC name is 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide.

Molecular Properties

Compound Name5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide
PubChem CID50763028
Molecular FormulaC26H31ClN4O4
Molecular Weight499.01 g/mol
Exact Mass498.20
IUPAC Name5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C26H31ClN4O4/c1-18(2)14-15-28-23(32)9-5-6-16-30-25(34)21-7-3-4-8-22(21)31(26(30)35)17-24(33)29-20-12-10-19(27)11-13-20/h3-4,7-8,10-13,18H,5-6,9,14-17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyUOZQWQYPHLTXRY-UHFFFAOYSA-N
XLogP3.79
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.01
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide with MolForge

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Related Compounds

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-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50763049
5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763120
5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50763075
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
5-[1-[2-(2-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763135
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
methyl 4-[[2-[2,4-dioxo-3-[5-oxo-5-(propan-2-ylamino)pentyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 27371261
5-[1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762906
5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-chlorophenyl)methyl]pentanamide
CID 46247690
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
N-[(2-chlorophenyl)methyl]-4-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 22429763

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide?
The IUPAC name of 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide (CID 50763028) is 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide.
What is the SMILES notation for 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide?
The canonical SMILES for 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide is CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide?
The InChIKey is UOZQWQYPHLTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O4/c1-18(2)14-15-28-23(32)9-5-6-16-30-25(34)21-7-3-4-8-22(21)31(26(30)35)17-24(33)29-20-12-10-19(27)11-13-20/h3-4,7-8,10-13,18H,5-6,9,14-17H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide?
5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide has a molecular weight of 499.01 g/mol, XLogP of 3.79, 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-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide is sourced from PubChem (CID 50763028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).