2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide

C24H25N5O4S — CID 11751964

IUPAC2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
SMILESCc1cc(Nc2ncnc3cccc(OCCN(C)C(=O)CO)c23)ccc1OCc1cscn1
InChIInChI=1S/C24H25N5O4S/c1-16-10-17(6-7-20(16)33-12-18-13-34-15-27-18)28-24-23-19(25-14-26-24)4-3-5-21(23)32-9-8-29(2)22(31)11-30/h3-7,10,13-15,30H,8-9,11-12H2,1-2H3,(H,25,26,28)
InChIKeyHRZOZRWDBWPUAD-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.55
Rot. Bonds10

About 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide

2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide (PubChem CID 11751964) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
PubChem CID11751964
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
SMILESCc1cc(Nc2ncnc3cccc(OCCN(C)C(=O)CO)c23)ccc1OCc1cscn1
InChIInChI=1S/C24H25N5O4S/c1-16-10-17(6-7-20(16)33-12-18-13-34-15-27-18)28-24-23-19(25-14-26-24)4-3-5-21(23)32-9-8-29(2)22(31)11-30/h3-7,10,13-15,30H,8-9,11-12H2,1-2H3,(H,25,26,28)
InChIKeyHRZOZRWDBWPUAD-UHFFFAOYSA-N
XLogP3.55
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
CID 154511898
N-[2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]-2-(dimethylamino)-N-methylacetamide
CID 11295369
N-[1-[4-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxypropan-2-yl]-2-hydroxypropanamide
CID 90951488
N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5-[2-[methyl(prop-1-en-2-yl)amino]ethoxy]quinazolin-4-amine
CID 143054061
2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 90865607
methyl (2R)-2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615536
N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide
CID 143054050
N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide
CID 90761748
N-[2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]-N,1-dimethylpyrrolidine-2-carboxamide
CID 11168785
2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 91117359
4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxybutanamide
CID 69491882
2-hydroxy-1-[(2R)-2-[[4-[[1-(1,3-thiazol-4-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]ethanone
CID 68944059

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide (CID 11751964) is 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide is Cc1cc(Nc2ncnc3cccc(OCCN(C)C(=O)CO)c23)ccc1OCc1cscn1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide?
The InChIKey is HRZOZRWDBWPUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-16-10-17(6-7-20(16)33-12-18-13-34-15-27-18)28-24-23-19(25-14-26-24)4-3-5-21(23)32-9-8-29(2)22(31)11-30/h3-7,10,13-15,30H,8-9,11-12H2,1-2H3,(H,25,26,28).
What are the key properties of 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide?
2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide has a molecular weight of 479.56 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide is sourced from PubChem (CID 11751964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).