N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide

C26H27N5O4 — CID 11547377

IUPACN-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cccc(OCC(=O)N(C)CCO)c34)cc2C)cn1
InChIInChI=1S/C26H27N5O4/c1-17-13-19(8-10-22(17)35-20-9-7-18(2)27-14-20)30-26-25-21(28-16-29-26)5-4-6-23(25)34-15-24(33)31(3)11-12-32/h4-10,13-14,16,32H,11-12,15H2,1-3H3,(H,28,29,30)
InChIKeyUEUYWFQDPARSJF-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.01
Rot. Bonds9

About N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide

N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide (PubChem CID 11547377) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide
PubChem CID11547377
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cccc(OCC(=O)N(C)CCO)c34)cc2C)cn1
InChIInChI=1S/C26H27N5O4/c1-17-13-19(8-10-22(17)35-20-9-7-18(2)27-14-20)30-26-25-21(28-16-29-26)5-4-6-23(25)34-15-24(33)31(3)11-12-32/h4-10,13-14,16,32H,11-12,15H2,1-3H3,(H,28,29,30)
InChIKeyUEUYWFQDPARSJF-UHFFFAOYSA-N
XLogP4.01
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Cp-724714
CID 9874913
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
Anilinoquinazoline deriv. 33
CID 5329031
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
(2R)-2-[(4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]-N,N-dimethylpropanamide
CID 11569158
(R)-N,N-dimethyl-2-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-5-yloxy)propanamide
CID 11712237
1-(2-hydroxypropyl)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 11962976
1-(2-hydroxyethyl)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 11963057
(E)-2-methoxy-N-(3-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-6-yl)allyl)acetamide
CID 53401057
N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330181
4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10278606

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide (CID 11547377) is N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide is Cc1ccc(Oc2ccc(Nc3ncnc4cccc(OCC(=O)N(C)CCO)c34)cc2C)cn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide?
The InChIKey is UEUYWFQDPARSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-17-13-19(8-10-22(17)35-20-9-7-18(2)27-14-20)30-26-25-21(28-16-29-26)5-4-6-23(25)34-15-24(33)31(3)11-12-32/h4-10,13-14,16,32H,11-12,15H2,1-3H3,(H,28,29,30).
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide?
N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide has a molecular weight of 473.53 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyacetamide is sourced from PubChem (CID 11547377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).