2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide

C19H20N4O3S — CID 17420196

IUPAC2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nc2ccccc2c(=O)n1Nc1ccccc1
InChIInChI=1S/C19H20N4O3S/c1-26-12-11-20-17(24)13-27-19-21-16-10-6-5-9-15(16)18(25)23(19)22-14-7-3-2-4-8-14/h2-10,22H,11-13H2,1H3,(H,20,24)
InChIKeyILPSOJUCUZJVDC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.13
Rot. Bonds8

About 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide

2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide (PubChem CID 17420196) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
PubChem CID17420196
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nc2ccccc2c(=O)n1Nc1ccccc1
InChIInChI=1S/C19H20N4O3S/c1-26-12-11-20-17(24)13-27-19-21-16-10-6-5-9-15(16)18(25)23(19)22-14-7-3-2-4-8-14/h2-10,22H,11-13H2,1H3,(H,20,24)
InChIKeyILPSOJUCUZJVDC-UHFFFAOYSA-N
XLogP2.13
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513
2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 4093102
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588347
N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8634205
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2693493
3-anilino-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 17415489
N-(2-methoxyethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2563558
2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 7581120
2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2084922
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2583905
4-methoxy-N-[4-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]benzamide
CID 2202378
N-(2-methoxyethyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetamide
CID 4569711

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide (CID 17420196) is 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1nc2ccccc2c(=O)n1Nc1ccccc1.
What is the InChIKey of 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The InChIKey is ILPSOJUCUZJVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-26-12-11-20-17(24)13-27-19-21-16-10-6-5-9-15(16)18(25)23(19)22-14-7-3-2-4-8-14/h2-10,22H,11-13H2,1H3,(H,20,24).
What are the key properties of 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 17420196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).