2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide

C16H12F2N4O2S — CID 53366380

IUPAC2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
SMILESNn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc2c1=O
InChIInChI=1S/C16H12F2N4O2S/c17-9-5-6-11(18)13(7-9)20-14(23)8-25-16-21-12-4-2-1-3-10(12)15(24)22(16)19/h1-7H,8,19H2,(H,20,23)
InChIKeyHZCGRVPAYFIHAL-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.12
Rot. Bonds4

About 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide

2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide (PubChem CID 53366380) has the molecular formula C16H12F2N4O2S and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
PubChem CID53366380
Molecular FormulaC16H12F2N4O2S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
SMILESNn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc2c1=O
InChIInChI=1S/C16H12F2N4O2S/c17-9-5-6-11(18)13(7-9)20-14(23)8-25-16-21-12-4-2-1-3-10(12)15(24)22(16)19/h1-7H,8,19H2,(H,20,23)
InChIKeyHZCGRVPAYFIHAL-UHFFFAOYSA-N
XLogP2.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4673947
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 4026422
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 53366375
N-(4-fluoro-2-methylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 46925055
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 53489643
N-(2,4-difluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2595690
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 53366366
N-(4-chloro-2-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3951706
N-(4-chlorophenyl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4680018
methyl 3-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 18776453

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide (CID 53366380) is 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide is Nn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The InChIKey is HZCGRVPAYFIHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2S/c17-9-5-6-11(18)13(7-9)20-14(23)8-25-16-21-12-4-2-1-3-10(12)15(24)22(16)19/h1-7H,8,19H2,(H,20,23).
What are the key properties of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide has a molecular weight of 362.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 53366380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).