N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

C16H15Cl2N3O2S — CID 7185523

IUPACN-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2S/c17-11-6-5-9(7-12(11)18)19-14(22)8-24-15-10-3-1-2-4-13(10)20-16(23)21-15/h5-7H,1-4,8H2,(H,19,22)(H,20,21,23)
InChIKeyJVSVMIMKUHRUSU-UHFFFAOYSA-N
MW384.29 g/mol
LogP3.69
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7185523) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7185523
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2S/c17-11-6-5-9(7-12(11)18)19-14(22)8-24-15-10-3-1-2-4-13(10)20-16(23)21-15/h5-7H,1-4,8H2,(H,19,22)(H,20,21,23)
InChIKeyJVSVMIMKUHRUSU-UHFFFAOYSA-N
XLogP3.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7185523) is N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is JVSVMIMKUHRUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c17-11-6-5-9(7-12(11)18)19-14(22)8-24-15-10-3-1-2-4-13(10)20-16(23)21-15/h5-7H,1-4,8H2,(H,19,22)(H,20,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 384.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).