2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one

C22H14N4OS — CID 135696924

IUPAC2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(Sc2nc(-c3ccccc3)nc3ccccc23)nc2ccccc12
InChIInChI=1S/C22H14N4OS/c27-20-15-10-4-6-12-17(15)24-22(26-20)28-21-16-11-5-7-13-18(16)23-19(25-21)14-8-2-1-3-9-14/h1-13H,(H,24,26,27)
InChIKeyIHOQGTFTAWWQTQ-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.68
Rot. Bonds3

About 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one

2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one (PubChem CID 135696924) has the molecular formula C22H14N4OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one
PubChem CID135696924
Molecular FormulaC22H14N4OS
Molecular Weight382.45 g/mol
Exact Mass382.09
IUPAC Name2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(Sc2nc(-c3ccccc3)nc3ccccc23)nc2ccccc12
InChIInChI=1S/C22H14N4OS/c27-20-15-10-4-6-12-17(15)24-22(26-20)28-21-16-11-5-7-13-18(16)23-19(25-21)14-8-2-1-3-9-14/h1-13H,(H,24,26,27)
InChIKeyIHOQGTFTAWWQTQ-UHFFFAOYSA-N
XLogP4.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-phenylphenyl)methylsulfanyl]-3H-quinazolin-4-one
CID 162676807
2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 7454001
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one
CID 135514004
1-(2-phenylquinazolin-4-yl)sulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole
CID 24649798
4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline
CID 4785528
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3H-quinazolin-4-one
CID 135543455
2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylquinazoline
CID 155568122
2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-3H-quinazolin-4-one
CID 135997718
2-hexylsulfanyl-3H-quinazolin-4-one
CID 135492059
2-heptylsulfanyl-3H-quinazolin-4-one
CID 135464963
2-phenyl-4-(2-phenylethenyl)quinazoline
CID 54158747

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one?
The IUPAC name of 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one (CID 135696924) is 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one is O=c1[nH]c(Sc2nc(-c3ccccc3)nc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one?
The InChIKey is IHOQGTFTAWWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4OS/c27-20-15-10-4-6-12-17(15)24-22(26-20)28-21-16-11-5-7-13-18(16)23-19(25-21)14-8-2-1-3-9-14/h1-13H,(H,24,26,27).
What are the key properties of 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one?
2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one has a molecular weight of 382.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135696924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).