3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione

C22H24N4O4 — CID 15988106

IUPAC3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2c1=O
InChIInChI=1S/C22H24N4O4/c1-30-14-13-26-21(28)18-8-7-16(15-19(18)23-22(26)29)20(27)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,29)
InChIKeyQWSVQUBFJQLQRT-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.30
Rot. Bonds5

About 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione

3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione (PubChem CID 15988106) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
PubChem CID15988106
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2c1=O
InChIInChI=1S/C22H24N4O4/c1-30-14-13-26-21(28)18-8-7-16(15-19(18)23-22(26)29)20(27)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,29)
InChIKeyQWSVQUBFJQLQRT-UHFFFAOYSA-N
XLogP1.30
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 5195635
3-(2-methoxyethyl)-7-(4-methylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4194151
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-1H-quinazoline-2,4-dione
CID 15992912
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 121020861
7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 3240438
7-(3,5-dimethylpiperidine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4215295
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 4641995
7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175974
3-ethyl-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 39640964
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
7-(4-methylpiperazine-1-carbonyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3242683

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione (CID 15988106) is 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione is COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The InChIKey is QWSVQUBFJQLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-30-14-13-26-21(28)18-8-7-16(15-19(18)23-22(26)29)20(27)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,29).
What are the key properties of 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 15988106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).