7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one

C19H16Cl2N2O2S — CID 8601292

IUPAC7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2nc(SC[C@H]2CCCO2)n1-c1cccc(Cl)c1
InChIInChI=1S/C19H16Cl2N2O2S/c20-12-3-1-4-14(9-12)23-18(24)16-7-6-13(21)10-17(16)22-19(23)26-11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2/t15-/m1/s1
InChIKeyJHZSCKMVSYLVEP-OAHLLOKOSA-N
MW407.32 g/mol
LogP4.96
Rot. Bonds4

About 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one

7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one (PubChem CID 8601292) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
PubChem CID8601292
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2nc(SC[C@H]2CCCO2)n1-c1cccc(Cl)c1
InChIInChI=1S/C19H16Cl2N2O2S/c20-12-3-1-4-14(9-12)23-18(24)16-7-6-13(21)10-17(16)22-19(23)26-11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2/t15-/m1/s1
InChIKeyJHZSCKMVSYLVEP-OAHLLOKOSA-N
XLogP4.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one with MolForge

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Related Compounds

7-chloro-3-cyclopentyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 40952418
7-chloro-3-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 8601242
3-(3-chloro-4-fluorophenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
CID 2606598
3-(3-chloro-4-fluorophenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 42966765
7-chloro-3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)quinazolin-4-one
CID 17392958
7-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7739405
3-(3-chlorophenyl)-2-(cyclohexylmethylsulfanyl)quinazolin-4-one
CID 7191427
3-(3,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 4812088
3-[(4-chlorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 42054654
3-(4-chlorophenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one
CID 9322861
3-(4-ethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 7821490
7-chloro-3-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylsulfanylquinazolin-4-one
CID 41095575

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one (CID 8601292) is 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one is O=c1c2ccc(Cl)cc2nc(SC[C@H]2CCCO2)n1-c1cccc(Cl)c1.
What is the InChIKey of 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one?
The InChIKey is JHZSCKMVSYLVEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c20-12-3-1-4-14(9-12)23-18(24)16-7-6-13(21)10-17(16)22-19(23)26-11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2/t15-/m1/s1.
What are the key properties of 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one?
7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one has a molecular weight of 407.32 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 8601292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).