2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

C18H11ClN2OS — CID 86166109

IUPAC2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(-c2cccc(Cl)c2)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C18H11ClN2OS/c1-23-18-14-15(12-7-2-3-8-13(12)16(14)22)20-17(21-18)10-5-4-6-11(19)9-10/h2-9H,1H3
InChIKeyGOPOXFFDABKVQD-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.73
Rot. Bonds2

About 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (PubChem CID 86166109) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
PubChem CID86166109
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(-c2cccc(Cl)c2)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C18H11ClN2OS/c1-23-18-14-15(12-7-2-3-8-13(12)16(14)22)20-17(21-18)10-5-4-6-11(19)9-10/h2-9H,1H3
InChIKeyGOPOXFFDABKVQD-UHFFFAOYSA-N
XLogP4.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
CID 139230796
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-(3-chlorophenyl)-4-naphthalen-1-ylquinazoline
CID 139365483
1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene
CID 54176640
4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one
CID 118372598
2-[2-chloro-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250535
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389
2-amino-3-(3-chlorophenyl)naphthalene-1,4-dione
CID 90646353
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylidenenaphthalene-1,4-dione
CID 123891421
2-chloro-4-methylbenzo[h]quinoline-5,6-dione
CID 86148975

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (CID 86166109) is 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is CSc1nc(-c2cccc(Cl)c2)nc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is GOPOXFFDABKVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c1-23-18-14-15(12-7-2-3-8-13(12)16(14)22)20-17(21-18)10-5-4-6-11(19)9-10/h2-9H,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 338.82 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 86166109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).