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

C26H27N5O4 — CID 11619812

IUPAC(2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)NCCO)c34)cc2C)cn1
InChIInChI=1S/C26H27N5O4/c1-16-13-19(8-10-22(16)35-20-9-7-17(2)28-14-20)31-25-24-21(29-15-30-25)5-4-6-23(24)34-18(3)26(33)27-11-12-32/h4-10,13-15,18,32H,11-12H2,1-3H3,(H,27,33)(H,29,30,31)/t18-/m1/s1
InChIKeyGOIYYHUARAVZLL-GOSISDBHSA-N
MW473.53 g/mol
LogP4.05
Rot. Bonds9

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

(2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide (PubChem CID 11619812) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
PubChem CID11619812
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name(2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)NCCO)c34)cc2C)cn1
InChIInChI=1S/C26H27N5O4/c1-16-13-19(8-10-22(16)35-20-9-7-17(2)28-14-20)31-25-24-21(29-15-30-25)5-4-6-23(24)34-18(3)26(33)27-11-12-32/h4-10,13-15,18,32H,11-12H2,1-3H3,(H,27,33)(H,29,30,31)/t18-/m1/s1
InChIKeyGOIYYHUARAVZLL-GOSISDBHSA-N
XLogP4.05
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide with MolForge

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Related Compounds

Cp-724714
CID 9874913
Anilinoquinazoline deriv. 33
CID 5329031
(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-{7-[3-(4-Methyl-piperazin-1-yl)-propoxy]-4-m-tolylamino-quinazolin-6-yl}-acrylamide
CID 10504176
N-[7-(3-Morpholin-4-yl-propoxy)-4-m-tolylamino-quinazolin-6-yl]-acrylamide
CID 10789593
1-(4-(4-(6-Methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidin-1-yl)-3,3-dimethylbutan-1-one
CID 11305772
1-(4-(4-(6,7-Dimethoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidin-1-yl)-3,3-dimethylbutan-1-one
CID 11397750
N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)quinazolin-5-yloxy)ethyl)-2-hydroxy-N-methylacetamide
CID 11454712

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The IUPAC name of (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide (CID 11619812) is (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide.
What is the SMILES notation for (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The canonical SMILES for (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide is Cc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)NCCO)c34)cc2C)cn1.
What is the InChIKey of (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The InChIKey is GOIYYHUARAVZLL-GOSISDBHSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16-13-19(8-10-22(16)35-20-9-7-17(2)28-14-20)31-25-24-21(29-15-30-25)5-4-6-23(24)34-18(3)26(33)27-11-12-32/h4-10,13-15,18,32H,11-12H2,1-3H3,(H,27,33)(H,29,30,31)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
(2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide has a molecular weight of 473.53 g/mol, XLogP of 4.05, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide is sourced from PubChem (CID 11619812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).