3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one

C20H22ClN3OS — CID 15991087

IUPAC3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one
SMILESCCN(CC)CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3OS/c1-3-23(4-2)13-14-26-20-22-18-8-6-5-7-17(18)19(25)24(20)16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyRVLWIQRESFNYDV-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.47
Rot. Bonds7

About 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one

3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one (PubChem CID 15991087) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one
PubChem CID15991087
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC Name3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one
SMILESCCN(CC)CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3OS/c1-3-23(4-2)13-14-26-20-22-18-8-6-5-7-17(18)19(25)24(20)16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyRVLWIQRESFNYDV-UHFFFAOYSA-N
XLogP4.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Mecloqualone
CID 9567
4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-
CID 63201
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
1-(3-Chlorophenyl)quinazolin-4(1H)-one
CID 901934
2-[2-(2-chlorophenyl)vinyl]-3-ethyl-4(3H)-quinazolinone
CID 6247184
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
3-(4-chlorophenyl)quinazolin-4(3H)-one
CID 328621
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
3-(4-Chlorophenyl)-2-methyl-4(3H)-quinazolinone
CID 63340
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035
3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone
CID 1636836

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one (CID 15991087) is 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one is CCN(CC)CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one?
The InChIKey is RVLWIQRESFNYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-3-23(4-2)13-14-26-20-22-18-8-6-5-7-17(18)19(25)24(20)16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one?
3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one has a molecular weight of 387.94 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 15991087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).