2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one

C19H14Cl2N4OS — CID 27805926

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one
SMILESCn1c(Cl)cnc1CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C19H14Cl2N4OS/c1-24-16(21)10-22-17(24)11-27-19-23-15-8-3-2-7-14(15)18(26)25(19)13-6-4-5-12(20)9-13/h2-10H,11H2,1H3
InChIKeyWRRPKNOUDGYPIJ-UHFFFAOYSA-N
MW417.32 g/mol
LogP4.72
Rot. Bonds4

About 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one

2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one (PubChem CID 27805926) has the molecular formula C19H14Cl2N4OS and a molecular weight of 417.32 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one
PubChem CID27805926
Molecular FormulaC19H14Cl2N4OS
Molecular Weight417.32 g/mol
Exact Mass416.03
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one
SMILESCn1c(Cl)cnc1CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C19H14Cl2N4OS/c1-24-16(21)10-22-17(24)11-27-19-23-15-8-3-2-7-14(15)18(26)25(19)13-6-4-5-12(20)9-13/h2-10H,11H2,1H3
InChIKeyWRRPKNOUDGYPIJ-UHFFFAOYSA-N
XLogP4.72
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201
3-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 7191416
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2994802
2-[2-(3-chlorophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533049
4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26970971
3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
CID 18206190
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
3-(3-chlorophenyl)-2-(cyclohexylmethylsulfanyl)quinazolin-4-one
CID 7191427
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
2-[(3-chlorophenyl)methylsulfanyl]-3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 51365553
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 7277003
3-(3-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 29252167

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one (CID 27805926) is 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one is Cn1c(Cl)cnc1CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one?
The InChIKey is WRRPKNOUDGYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4OS/c1-24-16(21)10-22-17(24)11-27-19-23-15-8-3-2-7-14(15)18(26)25(19)13-6-4-5-12(20)9-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one?
2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one has a molecular weight of 417.32 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one is sourced from PubChem (CID 27805926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).