N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide

C23H27N5O4S — CID 143054050

IUPACN-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide
SMILESCS/C=C(\N)COc1ccc(Nc2ncnc3cccc(OCCNC(=O)CO)c23)cc1C
InChIInChI=1S/C23H27N5O4S/c1-15-10-17(6-7-19(15)32-12-16(24)13-33-2)28-23-22-18(26-14-27-23)4-3-5-20(22)31-9-8-25-21(30)11-29/h3-7,10,13-14,29H,8-9,11-12,24H2,1-2H3,(H,25,30)(H,26,27,28)/b16-13-
InChIKeyFFWQXLADQMZHLH-SSZFMOIBSA-N
MW469.57 g/mol
LogP2.71
Rot. Bonds11

About N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide

N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide (PubChem CID 143054050) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide
PubChem CID143054050
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC NameN-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide
SMILESCS/C=C(\N)COc1ccc(Nc2ncnc3cccc(OCCNC(=O)CO)c23)cc1C
InChIInChI=1S/C23H27N5O4S/c1-15-10-17(6-7-19(15)32-12-16(24)13-33-2)28-23-22-18(26-14-27-23)4-3-5-20(22)31-9-8-25-21(30)11-29/h3-7,10,13-14,29H,8-9,11-12,24H2,1-2H3,(H,25,30)(H,26,27,28)/b16-13-
InChIKeyFFWQXLADQMZHLH-SSZFMOIBSA-N
XLogP2.71
TPSA131.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylphenyl]-5-propan-2-ylquinazolin-4-amine
CID 143054037
N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide
CID 90761748
N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
CID 154511898
2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 90865607
2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 91117359
2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
CID 11751964
methyl (2R)-2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615536
(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 11598297
5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide
CID 90981522
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
N-[1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 11294859
[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl] propanoate
CID 90891540

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide (CID 143054050) is N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide is CS/C=C(\N)COc1ccc(Nc2ncnc3cccc(OCCNC(=O)CO)c23)cc1C.
What is the InChIKey of N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide?
The InChIKey is FFWQXLADQMZHLH-SSZFMOIBSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-15-10-17(6-7-19(15)32-12-16(24)13-33-2)28-23-22-18(26-14-27-23)4-3-5-20(22)31-9-8-25-21(30)11-29/h3-7,10,13-14,29H,8-9,11-12,24H2,1-2H3,(H,25,30)(H,26,27,28)/b16-13-.
What are the key properties of N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide?
N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide has a molecular weight of 469.57 g/mol, XLogP of 2.71, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide is sourced from PubChem (CID 143054050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).