4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide

C26H32N4O5 — CID 15989493

IUPAC4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide
SMILESCCN(CC)C(=O)Cn1c(=O)n(Cc2ccc(C(=O)NCCCOC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C26H32N4O5/c1-4-28(5-2)23(31)18-29-22-10-7-6-9-21(22)25(33)30(26(29)34)17-19-11-13-20(14-12-19)24(32)27-15-8-16-35-3/h6-7,9-14H,4-5,8,15-18H2,1-3H3,(H,27,32)
InChIKeySKDDDGJIJSHYPJ-UHFFFAOYSA-N
MW480.57 g/mol
LogP1.85
Rot. Bonds11

About 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide

4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide (PubChem CID 15989493) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide
PubChem CID15989493
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide
SMILESCCN(CC)C(=O)Cn1c(=O)n(Cc2ccc(C(=O)NCCCOC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C26H32N4O5/c1-4-28(5-2)23(31)18-29-22-10-7-6-9-21(22)25(33)30(26(29)34)17-19-11-13-20(14-12-19)24(32)27-15-8-16-35-3/h6-7,9-14H,4-5,8,15-18H2,1-3H3,(H,27,32)
InChIKeySKDDDGJIJSHYPJ-UHFFFAOYSA-N
XLogP1.85
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide (CID 15989493) is 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide is CCN(CC)C(=O)Cn1c(=O)n(Cc2ccc(C(=O)NCCCOC)cc2)c(=O)c2ccccc21.
What is the InChIKey of 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is SKDDDGJIJSHYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-4-28(5-2)23(31)18-29-22-10-7-6-9-21(22)25(33)30(26(29)34)17-19-11-13-20(14-12-19)24(32)27-15-8-16-35-3/h6-7,9-14H,4-5,8,15-18H2,1-3H3,(H,27,32).
What are the key properties of 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide?
4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 480.57 g/mol, XLogP of 1.85, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 15989493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).