N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide

C28H34N6O5 — CID 68780036

IUPACN-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide
SMILESCCCC(NCCCn1c(=O)[nH]c2ccccc2c1=O)N(CCCn1c(=O)[nH]c2ccccc2c1=O)C(C)=O
InChIInChI=1S/C28H34N6O5/c1-3-10-24(29-15-8-16-33-25(36)20-11-4-6-13-22(20)30-27(33)38)32(19(2)35)17-9-18-34-26(37)21-12-5-7-14-23(21)31-28(34)39/h4-7,11-14,24,29H,3,8-10,15-18H2,1-2H3,(H,30,38)(H,31,39)
InChIKeyXCRQFVZNMXFXJP-UHFFFAOYSA-N
MW534.62 g/mol
LogP1.74
Rot. Bonds12

About N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide

N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide (PubChem CID 68780036) has the molecular formula C28H34N6O5 and a molecular weight of 534.62 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide
PubChem CID68780036
Molecular FormulaC28H34N6O5
Molecular Weight534.62 g/mol
Exact Mass534.26
IUPAC NameN-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide
SMILESCCCC(NCCCn1c(=O)[nH]c2ccccc2c1=O)N(CCCn1c(=O)[nH]c2ccccc2c1=O)C(C)=O
InChIInChI=1S/C28H34N6O5/c1-3-10-24(29-15-8-16-33-25(36)20-11-4-6-13-22(20)30-27(33)38)32(19(2)35)17-9-18-34-26(37)21-12-5-7-14-23(21)31-28(34)39/h4-7,11-14,24,29H,3,8-10,15-18H2,1-2H3,(H,30,38)(H,31,39)
InChIKeyXCRQFVZNMXFXJP-UHFFFAOYSA-N
XLogP1.74
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
3-[3-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl-hexylamino]butylamino]propyl]-1H-quinazoline-2,4-dione;dihydrochloride
CID 142700143
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
3-[3-[4-[1-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butan-2-ylamino]propyl]-1H-quinazoline-2,4-dione
CID 68776746
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl-methylsulfonylamino]butyl]butane-1-sulfonamide
CID 67772137
4-[acetyl-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]amino]butyl 4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate
CID 140558184
3-(3-chlorobutyl)-1H-quinazoline-2,4-dione
CID 118691448
2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 142647674
2-[6-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]-3-methylbutanoic acid
CID 4834295
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 56771840
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide?
The IUPAC name of N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide (CID 68780036) is N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide?
The canonical SMILES for N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide is CCCC(NCCCn1c(=O)[nH]c2ccccc2c1=O)N(CCCn1c(=O)[nH]c2ccccc2c1=O)C(C)=O.
What is the InChIKey of N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide?
The InChIKey is XCRQFVZNMXFXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O5/c1-3-10-24(29-15-8-16-33-25(36)20-11-4-6-13-22(20)30-27(33)38)32(19(2)35)17-9-18-34-26(37)21-12-5-7-14-23(21)31-28(34)39/h4-7,11-14,24,29H,3,8-10,15-18H2,1-2H3,(H,30,38)(H,31,39).
What are the key properties of N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide?
N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide has a molecular weight of 534.62 g/mol, XLogP of 1.74, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[1-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide is sourced from PubChem (CID 68780036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).