N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C32H36N4O7S — CID 4590712

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C32H36N4O7S/c1-5-42-27-19-25(35-13-15-41-16-14-35)28(43-6-2)18-24(27)33-30(37)20-44-32-34-23-10-8-7-9-22(23)31(38)36(32)21-11-12-26(39-3)29(17-21)40-4/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,37)
InChIKeyQWTHYLADDMIMER-UHFFFAOYSA-N
MW620.73 g/mol
LogP4.77
Rot. Bonds12

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 4590712) has the molecular formula C32H36N4O7S and a molecular weight of 620.73 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID4590712
Molecular FormulaC32H36N4O7S
Molecular Weight620.73 g/mol
Exact Mass620.23
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C32H36N4O7S/c1-5-42-27-19-25(35-13-15-41-16-14-35)28(43-6-2)18-24(27)33-30(37)20-44-32-34-23-10-8-7-9-22(23)31(38)36(32)21-11-12-26(39-3)29(17-21)40-4/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,37)
InChIKeyQWTHYLADDMIMER-UHFFFAOYSA-N
XLogP4.77
TPSA113.38 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.73
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 3957299
N-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538626
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 16538608
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2468053
3-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16538578
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1383033
N-(3-chloro-4-fluorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538606
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3491073
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 33111857
N-(3,4-dimethoxyphenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532871
N-(2,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41485463

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 4590712) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is QWTHYLADDMIMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O7S/c1-5-42-27-19-25(35-13-15-41-16-14-35)28(43-6-2)18-24(27)33-30(37)20-44-32-34-23-10-8-7-9-22(23)31(38)36(32)21-11-12-26(39-3)29(17-21)40-4/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,37).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 620.73 g/mol, XLogP of 4.77, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4590712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).