2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

C22H25N3O3S — CID 18201372

IUPAC2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H25N3O3S/c1-16(2)28-14-8-13-23-20(26)15-29-22-24-19-12-7-6-11-18(19)21(27)25(22)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,23,26)
InChIKeyZWEBBWNHXPBMRW-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.41
Rot. Bonds9

About 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 18201372) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID18201372
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H25N3O3S/c1-16(2)28-14-8-13-23-20(26)15-29-22-24-19-12-7-6-11-18(19)21(27)25(22)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,23,26)
InChIKeyZWEBBWNHXPBMRW-UHFFFAOYSA-N
XLogP3.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-oxo-2-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylquinazolin-3-yl]acetate
CID 8540226
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentylacetamide
CID 9491417
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide
CID 29142086
2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 8581839
N-butyl-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2537093
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172
2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2607673
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2693493
2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-hexylacetamide
CID 42736265

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (CID 18201372) is 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is ZWEBBWNHXPBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16(2)28-14-8-13-23-20(26)15-29-22-24-19-12-7-6-11-18(19)21(27)25(22)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 18201372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).