1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C22H24N4O3 — CID 30470000

IUPAC1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O3/c27-20(16-26-19-10-5-4-9-18(19)21(28)23-22(26)29)25-12-6-11-24(13-14-25)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,23,28,29)
InChIKeyJNOOAPLEKYDAOV-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione

1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 30470000) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID30470000
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O3/c27-20(16-26-19-10-5-4-9-18(19)21(28)23-22(26)29)25-12-6-11-24(13-14-25)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,23,28,29)
InChIKeyJNOOAPLEKYDAOV-UHFFFAOYSA-N
XLogP1.42
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 36865914
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474
3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 27745227
1-[2-oxo-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 42945208
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione
CID 146092841
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 30470000) is 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione is O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is JNOOAPLEKYDAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20(16-26-19-10-5-4-9-18(19)21(28)23-22(26)29)25-12-6-11-24(13-14-25)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,23,28,29).
What are the key properties of 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 30470000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).