N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide

C30H32N4O6S — CID 46370210

IUPACN-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2c(SCC(=O)Nc3cc(OC)ccc3OC)nc3ccc(N4CCOCC4)cc3c2=O)cc1
InChIInChI=1S/C30H32N4O6S/c1-37-22-7-4-20(5-8-22)18-34-29(36)24-16-21(33-12-14-40-15-13-33)6-10-25(24)32-30(34)41-19-28(35)31-26-17-23(38-2)9-11-27(26)39-3/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,31,35)
InChIKeyZPXMIQNBEHNQEX-UHFFFAOYSA-N
MW576.68 g/mol
LogP4.04
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 46370210) has the molecular formula C30H32N4O6S and a molecular weight of 576.68 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID46370210
Molecular FormulaC30H32N4O6S
Molecular Weight576.68 g/mol
Exact Mass576.20
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2c(SCC(=O)Nc3cc(OC)ccc3OC)nc3ccc(N4CCOCC4)cc3c2=O)cc1
InChIInChI=1S/C30H32N4O6S/c1-37-22-7-4-20(5-8-22)18-34-29(36)24-16-21(33-12-14-40-15-13-33)6-10-25(24)32-30(34)41-19-28(35)31-26-17-23(38-2)9-11-27(26)39-3/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,31,35)
InChIKeyZPXMIQNBEHNQEX-UHFFFAOYSA-N
XLogP4.04
TPSA104.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.68
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3374072
3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenacylsulfanylquinazolin-4-one
CID 5096012
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 16510040
3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 5096014
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-ylquinazolin-4-one
CID 4109718
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2478471
N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 22589719
N-(2,5-dimethoxyphenyl)-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925644
2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one
CID 23910304
3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
CID 4103886
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]acetamide
CID 4282447
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 46370210) is N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide is COc1ccc(Cn2c(SCC(=O)Nc3cc(OC)ccc3OC)nc3ccc(N4CCOCC4)cc3c2=O)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is ZPXMIQNBEHNQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6S/c1-37-22-7-4-20(5-8-22)18-34-29(36)24-16-21(33-12-14-40-15-13-33)6-10-25(24)32-30(34)41-19-28(35)31-26-17-23(38-2)9-11-27(26)39-3/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,31,35).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 576.68 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46370210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).