4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide

C19H26N4O4 — CID 60513440

IUPAC4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C19H26N4O4/c1-3-22(4-2)17(25)10-7-12-20-16(24)11-13-23-15-9-6-5-8-14(15)18(26)21-19(23)27/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,20,24)(H,21,26,27)
InChIKeyDQDZUCLHCRVQBE-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.84
Rot. Bonds9

About 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide

4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide (PubChem CID 60513440) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide
PubChem CID60513440
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C19H26N4O4/c1-3-22(4-2)17(25)10-7-12-20-16(24)11-13-23-15-9-6-5-8-14(15)18(26)21-19(23)27/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,20,24)(H,21,26,27)
InChIKeyDQDZUCLHCRVQBE-UHFFFAOYSA-N
XLogP0.84
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17427622
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 47058183
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 55454336
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 55847244

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide?
The IUPAC name of 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide (CID 60513440) is 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide?
The canonical SMILES for 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide is CCN(CC)C(=O)CCCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide?
The InChIKey is DQDZUCLHCRVQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-22(4-2)17(25)10-7-12-20-16(24)11-13-23-15-9-6-5-8-14(15)18(26)21-19(23)27/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,20,24)(H,21,26,27).
What are the key properties of 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide?
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide has a molecular weight of 374.44 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide is sourced from PubChem (CID 60513440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).