2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one

C19H23ClN4O2S — CID 39061956

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cn1c(SCc2nnc(C(C)(C)C)o2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H23ClN4O2S/c1-11(2)9-24-16(25)13-8-12(20)6-7-14(13)21-18(24)27-10-15-22-23-17(26-15)19(3,4)5/h6-8,11H,9-10H2,1-5H3
InChIKeyDPDRMWIAWIKLGO-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.68
Rot. Bonds5

About 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one (PubChem CID 39061956) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one
PubChem CID39061956
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cn1c(SCc2nnc(C(C)(C)C)o2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H23ClN4O2S/c1-11(2)9-24-16(25)13-8-12(20)6-7-14(13)21-18(24)27-10-15-22-23-17(26-15)19(3,4)5/h6-8,11H,9-10H2,1-5H3
InChIKeyDPDRMWIAWIKLGO-UHFFFAOYSA-N
XLogP4.68
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one with MolForge

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Related Compounds

6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 112776292
6-chloro-2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 7355891
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 16509998
6-chloro-3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 7355928
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide
CID 40930213
3-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropane-1-sulfonamide
CID 52880185
6-chloro-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 16510083
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 39065738
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 34933118
4-[4-[[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60564988
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7691725
6-chloro-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 7630617

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one (CID 39061956) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one is CC(C)Cn1c(SCc2nnc(C(C)(C)C)o2)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one?
The InChIKey is DPDRMWIAWIKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-11(2)9-24-16(25)13-8-12(20)6-7-14(13)21-18(24)27-10-15-22-23-17(26-15)19(3,4)5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one has a molecular weight of 406.94 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one is sourced from PubChem (CID 39061956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).