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

C16H15F2N3O2S — CID 7527201

IUPACN-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2N3O2S/c17-9-5-6-13(11(18)7-9)19-14(22)8-24-15-10-3-1-2-4-12(10)20-16(23)21-15/h5-7H,1-4,8H2,(H,19,22)(H,20,21,23)
InChIKeyQDNNIBGNXAABCG-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.66
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7527201) has the molecular formula C16H15F2N3O2S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7527201
Molecular FormulaC16H15F2N3O2S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2N3O2S/c17-9-5-6-13(11(18)7-9)19-14(22)8-24-15-10-3-1-2-4-12(10)20-16(23)21-15/h5-7H,1-4,8H2,(H,19,22)(H,20,21,23)
InChIKeyQDNNIBGNXAABCG-UHFFFAOYSA-N
XLogP2.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7527201) is N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is QDNNIBGNXAABCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S/c17-9-5-6-13(11(18)7-9)19-14(22)8-24-15-10-3-1-2-4-12(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-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 351.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7527201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).