1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C18H15ClN4OS — CID 17422518

IUPAC1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCC(Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccccc1Cl
InChIInChI=1S/C18H15ClN4OS/c1-11(12-7-3-5-9-14(12)19)25-18-21-20-17-22(2)16(24)13-8-4-6-10-15(13)23(17)18/h3-11H,1-2H3
InChIKeyUFJIVSVNMKDRMX-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.09
Rot. Bonds3

About 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17422518) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17422518
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCC(Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccccc1Cl
InChIInChI=1S/C18H15ClN4OS/c1-11(12-7-3-5-9-14(12)19)25-18-21-20-17-22(2)16(24)13-8-4-6-10-15(13)23(17)18/h3-11H,1-2H3
InChIKeyUFJIVSVNMKDRMX-UHFFFAOYSA-N
XLogP4.09
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-chlorophenyl)ethylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4822891
4-benzyl-1-[1-(2-chlorophenyl)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16516033
N-tert-butyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 51258689
N-(2-ethoxyphenyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 55441442
2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide
CID 24519226
1-[2-(3-chlorophenoxy)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 35195442
4-benzyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17416827
1-[2-(4-chlorophenoxy)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 27059247
1-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60540888
N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 24519248
1-(5-hydroxypentylsulfanyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60613770
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16560393

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17422518) is 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CC(Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is UFJIVSVNMKDRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-11(12-7-3-5-9-14(12)19)25-18-21-20-17-22(2)16(24)13-8-4-6-10-15(13)23(17)18/h3-11H,1-2H3.
What are the key properties of 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 370.87 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17422518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).