2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide

C30H32N4O6 — CID 166627415

IUPAC2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCOCC5)cc4)c(C)c3)nc2c1
InChIInChI=1S/C30H32N4O6/c1-18-13-20(29-32-24-15-23(37-3)16-25(38-4)27(24)30(36)33-29)14-19(2)28(18)40-17-26(35)31-21-5-7-22(8-6-21)34-9-11-39-12-10-34/h5-8,13-16H,9-12,17H2,1-4H3,(H,31,35)(H,32,33,36)
InChIKeySAXNHBLSINXCLN-UHFFFAOYSA-N
MW544.61 g/mol
LogP4.08
Rot. Bonds8

About 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide

2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 166627415) has the molecular formula C30H32N4O6 and a molecular weight of 544.61 g/mol. Its IUPAC name is 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID166627415
Molecular FormulaC30H32N4O6
Molecular Weight544.61 g/mol
Exact Mass544.23
IUPAC Name2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCOCC5)cc4)c(C)c3)nc2c1
InChIInChI=1S/C30H32N4O6/c1-18-13-20(29-32-24-15-23(37-3)16-25(38-4)27(24)30(36)33-29)14-19(2)28(18)40-17-26(35)31-21-5-7-22(8-6-21)34-9-11-39-12-10-34/h5-8,13-16H,9-12,17H2,1-4H3,(H,31,35)(H,32,33,36)
InChIKeySAXNHBLSINXCLN-UHFFFAOYSA-N
XLogP4.08
TPSA115.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide (CID 166627415) is 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide is COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCOCC5)cc4)c(C)c3)nc2c1.
What is the InChIKey of 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is SAXNHBLSINXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6/c1-18-13-20(29-32-24-15-23(37-3)16-25(38-4)27(24)30(36)33-29)14-19(2)28(18)40-17-26(35)31-21-5-7-22(8-6-21)34-9-11-39-12-10-34/h5-8,13-16H,9-12,17H2,1-4H3,(H,31,35)(H,32,33,36).
What are the key properties of 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 544.61 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 166627415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).