methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate

C24H25ClN4O5 — CID 55818662

IUPACmethyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCN(C(C(=O)OC)c4ccccc4Cl)CC3)ccc2c1=O
InChIInChI=1S/C24H25ClN4O5/c1-3-29-22(31)17-9-8-15(14-19(17)26-24(29)33)21(30)28-12-10-27(11-13-28)20(23(32)34-2)16-6-4-5-7-18(16)25/h4-9,14,20H,3,10-13H2,1-2H3,(H,26,33)
InChIKeyIYMNTIOQZBRDDC-UHFFFAOYSA-N
MW484.94 g/mol
LogP2.04
Rot. Bonds5

About methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate

methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate (PubChem CID 55818662) has the molecular formula C24H25ClN4O5 and a molecular weight of 484.94 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate
PubChem CID55818662
Molecular FormulaC24H25ClN4O5
Molecular Weight484.94 g/mol
Exact Mass484.15
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCN(C(C(=O)OC)c4ccccc4Cl)CC3)ccc2c1=O
InChIInChI=1S/C24H25ClN4O5/c1-3-29-22(31)17-9-8-15(14-19(17)26-24(29)33)21(30)28-12-10-27(11-13-28)20(23(32)34-2)16-6-4-5-7-18(16)25/h4-9,14,20H,3,10-13H2,1-2H3,(H,26,33)
InChIKeyIYMNTIOQZBRDDC-UHFFFAOYSA-N
XLogP2.04
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate with MolForge

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Related Compounds

methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperazin-1-yl]acetate
CID 51929508
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 46553316
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride
CID 119662095
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
7-(4-benzylpiperazine-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27671511
7-(azepane-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659116
3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
CID 15988106
N-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811241
methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
CID 37287107
methyl 2-(2-chlorophenyl)-2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]acetate
CID 55492463

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate (CID 55818662) is methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate is CCn1c(=O)[nH]c2cc(C(=O)N3CCN(C(C(=O)OC)c4ccccc4Cl)CC3)ccc2c1=O.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate?
The InChIKey is IYMNTIOQZBRDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5/c1-3-29-22(31)17-9-8-15(14-19(17)26-24(29)33)21(30)28-12-10-27(11-13-28)20(23(32)34-2)16-6-4-5-7-18(16)25/h4-9,14,20H,3,10-13H2,1-2H3,(H,26,33).
What are the key properties of methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate?
methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate has a molecular weight of 484.94 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 55818662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).