7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one

C18H17ClN2OS2 — CID 8527823

IUPAC7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
SMILESCSCCSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C18H17ClN2OS2/c1-12-4-3-5-14(10-12)21-17(22)15-7-6-13(19)11-16(15)20-18(21)24-9-8-23-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyQKZOSJKSJLCVMN-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.80
Rot. Bonds5

About 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one

7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one (PubChem CID 8527823) has the molecular formula C18H17ClN2OS2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
PubChem CID8527823
Molecular FormulaC18H17ClN2OS2
Molecular Weight376.93 g/mol
Exact Mass376.05
IUPAC Name7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
SMILESCSCCSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C18H17ClN2OS2/c1-12-4-3-5-14(10-12)21-17(22)15-7-6-13(19)11-16(15)20-18(21)24-9-8-23-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyQKZOSJKSJLCVMN-UHFFFAOYSA-N
XLogP4.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide
CID 8527822
7-chloro-3-(3-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 112787006
7-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one
CID 16544163
(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7907993
2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 112787008
7-chloro-3-(3-methylphenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 42972283
2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 29244888
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 3500107
7-chloro-3-(3-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 8601292
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2994802
7-chloro-2-[(2-chlorophenyl)methylsulfanyl]-3-(3,4-dichlorophenyl)quinazolin-4-one
CID 2725380
2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl-trimethylazanium
CID 27404

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one?
The IUPAC name of 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one (CID 8527823) is 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one is CSCCSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one?
The InChIKey is QKZOSJKSJLCVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS2/c1-12-4-3-5-14(10-12)21-17(22)15-7-6-13(19)11-16(15)20-18(21)24-9-8-23-2/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one?
7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one has a molecular weight of 376.93 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 8527823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).