7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one

C22H23ClN4O4S — CID 16510395

IUPAC7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H23ClN4O4S/c1-2-7-27-20(29)16-6-5-15(23)13-17(16)24-22(27)32-14-19(28)25-8-10-26(11-9-25)21(30)18-4-3-12-31-18/h3-6,12-13H,2,7-11,14H2,1H3
InChIKeyUEWISVSKPASZEO-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.13
Rot. Bonds6

About 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one

7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one (PubChem CID 16510395) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
PubChem CID16510395
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC Name7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H23ClN4O4S/c1-2-7-27-20(29)16-6-5-15(23)13-17(16)24-22(27)32-14-19(28)25-8-10-26(11-9-25)21(30)18-4-3-12-31-18/h3-6,12-13H,2,7-11,14H2,1H3
InChIKeyUEWISVSKPASZEO-UHFFFAOYSA-N
XLogP3.13
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one with MolForge

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Related Compounds

7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one
CID 84603704
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
7-chloro-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 7738120
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925066
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925071
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
CID 43812798
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2350113
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 2481575
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one (CID 16510395) is 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one is CCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one?
The InChIKey is UEWISVSKPASZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-2-7-27-20(29)16-6-5-15(23)13-17(16)24-22(27)32-14-19(28)25-8-10-26(11-9-25)21(30)18-4-3-12-31-18/h3-6,12-13H,2,7-11,14H2,1H3.
What are the key properties of 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one?
7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one has a molecular weight of 474.97 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 16510395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).