3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione

C20H16Cl2N4O3S — CID 55855947

IUPAC3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N4O3S/c21-12-2-5-14(6-3-12)26-18(28)15-7-4-13(22)10-16(15)24-20(26)30-9-1-8-25-17(27)11-23-19(25)29/h2-7,10H,1,8-9,11H2,(H,23,29)
InChIKeyATYIECBIDHRPBJ-UHFFFAOYSA-N
MW463.35 g/mol
LogP3.73
Rot. Bonds6

About 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione

3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione (PubChem CID 55855947) has the molecular formula C20H16Cl2N4O3S and a molecular weight of 463.35 g/mol. Its IUPAC name is 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione
PubChem CID55855947
Molecular FormulaC20H16Cl2N4O3S
Molecular Weight463.35 g/mol
Exact Mass462.03
IUPAC Name3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N4O3S/c21-12-2-5-14(6-3-12)26-18(28)15-7-4-13(22)10-16(15)24-20(26)30-9-1-8-25-17(27)11-23-19(25)29/h2-7,10H,1,8-9,11H2,(H,23,29)
InChIKeyATYIECBIDHRPBJ-UHFFFAOYSA-N
XLogP3.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[3-[6-chloro-3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione
CID 55996611
3-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione
CID 35356481
3-[3-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione
CID 55856071
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 3500107
7-chloro-3-(4-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 42985377
3-[3-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione
CID 55997765
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3471205
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 24684520
5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanenitrile
CID 2561551
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
CID 5199700
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 31400736
7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8527823

Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione (CID 55855947) is 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione?
The InChIKey is ATYIECBIDHRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3S/c21-12-2-5-14(6-3-12)26-18(28)15-7-4-13(22)10-16(15)24-20(26)30-9-1-8-25-17(27)11-23-19(25)29/h2-7,10H,1,8-9,11H2,(H,23,29).
What are the key properties of 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione?
3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione has a molecular weight of 463.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55855947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).