4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide

C26H32N4O5 — CID 15989590

IUPAC4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
SMILESCOCCCNC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c(=O)c2ccccc21
InChIInChI=1S/C26H32N4O5/c1-19-10-12-20(13-11-19)17-28-23(31)9-5-15-29-25(33)21-7-3-4-8-22(21)30(26(29)34)18-24(32)27-14-6-16-35-2/h3-4,7-8,10-13H,5-6,9,14-18H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyOZJGYNOTTYAIOU-UHFFFAOYSA-N
MW480.57 g/mol
LogP1.72
Rot. Bonds12

About 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide

4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 15989590) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
PubChem CID15989590
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
SMILESCOCCCNC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c(=O)c2ccccc21
InChIInChI=1S/C26H32N4O5/c1-19-10-12-20(13-11-19)17-28-23(31)9-5-15-29-25(33)21-7-3-4-8-22(21)30(26(29)34)18-24(32)27-14-6-16-35-2/h3-4,7-8,10-13H,5-6,9,14-18H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyOZJGYNOTTYAIOU-UHFFFAOYSA-N
XLogP1.72
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide (CID 15989590) is 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide is COCCCNC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c(=O)c2ccccc21.
What is the InChIKey of 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is OZJGYNOTTYAIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-19-10-12-20(13-11-19)17-28-23(31)9-5-15-29-25(33)21-7-3-4-8-22(21)30(26(29)34)18-24(32)27-14-6-16-35-2/h3-4,7-8,10-13H,5-6,9,14-18H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 480.57 g/mol, XLogP of 1.72, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 15989590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).