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

C23H23N5O3S — CID 154511898

IUPACN-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
SMILESCC(=O)NCCOc1cccc2ncnc(Nc3ccc(OCc4cscn4)c(C)c3)c12
InChIInChI=1S/C23H23N5O3S/c1-15-10-17(6-7-20(15)31-11-18-12-32-14-27-18)28-23-22-19(25-13-26-23)4-3-5-21(22)30-9-8-24-16(2)29/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,29)(H,25,26,28)
InChIKeyWCWCLKMHBPFHQO-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.23
Rot. Bonds9

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

N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide (PubChem CID 154511898) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
PubChem CID154511898
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
SMILESCC(=O)NCCOc1cccc2ncnc(Nc3ccc(OCc4cscn4)c(C)c3)c12
InChIInChI=1S/C23H23N5O3S/c1-15-10-17(6-7-20(15)31-11-18-12-32-14-27-18)28-23-22-19(25-13-26-23)4-3-5-21(22)30-9-8-24-16(2)29/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,29)(H,25,26,28)
InChIKeyWCWCLKMHBPFHQO-UHFFFAOYSA-N
XLogP4.23
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
CID 11751964
2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 90865607
N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide
CID 90761748
N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide
CID 143054050
N-[1-[4-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxypropan-2-yl]-2-hydroxypropanamide
CID 90951488
2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 91117359
methyl (2R)-2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615536
4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxybutanamide
CID 69491882
2-methoxy-1-[(2R)-2-[[4-[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]ethanone
CID 11649265
(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 11598297
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
[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-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide?
The IUPAC name of N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide (CID 154511898) is N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide is CC(=O)NCCOc1cccc2ncnc(Nc3ccc(OCc4cscn4)c(C)c3)c12.
What is the InChIKey of N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide?
The InChIKey is WCWCLKMHBPFHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-10-17(6-7-20(15)31-11-18-12-32-14-27-18)28-23-22-19(25-13-26-23)4-3-5-21(22)30-9-8-24-16(2)29/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,29)(H,25,26,28).
What are the key properties of N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide?
N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide has a molecular weight of 449.54 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide is sourced from PubChem (CID 154511898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).