2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

C24H27BrN4O5 — CID 4969535

IUPAC2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C24H27BrN4O5/c1-3-32-21-13-20(29-7-9-31-10-8-29)22(33-4-2)12-19(21)28-23(30)14-34-24-17-11-16(25)5-6-18(17)26-15-27-24/h5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,28,30)
InChIKeyDECDQWCTORUPAU-UHFFFAOYSA-N
MW531.41 g/mol
LogP4.04
Rot. Bonds9

About 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (PubChem CID 4969535) has the molecular formula C24H27BrN4O5 and a molecular weight of 531.41 g/mol. Its IUPAC name is 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
PubChem CID4969535
Molecular FormulaC24H27BrN4O5
Molecular Weight531.41 g/mol
Exact Mass530.12
IUPAC Name2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C24H27BrN4O5/c1-3-32-21-13-20(29-7-9-31-10-8-29)22(33-4-2)12-19(21)28-23(30)14-34-24-17-11-16(25)5-6-18(17)26-15-27-24/h5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,28,30)
InChIKeyDECDQWCTORUPAU-UHFFFAOYSA-N
XLogP4.04
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
2-(4-chloro-2-methylphenoxy)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4805862
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 16539860
2-(6-bromoquinazolin-4-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 2576960
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide
CID 7993762
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (CID 4969535) is 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ncnc2ccc(Br)cc12.
What is the InChIKey of 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DECDQWCTORUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O5/c1-3-32-21-13-20(29-7-9-31-10-8-29)22(33-4-2)12-19(21)28-23(30)14-34-24-17-11-16(25)5-6-18(17)26-15-27-24/h5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,28,30).
What are the key properties of 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 531.41 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4969535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).