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

C27H29N5O4 — CID 11591222

IUPAC(2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)N(C)CCO)c34)cc2C)cn1
InChIInChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m1/s1
InChIKeyRHKOFLSVENLYDP-LJQANCHMSA-N
MW487.56 g/mol
LogP4.40
Rot. Bonds9

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

(2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide (PubChem CID 11591222) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is (2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
PubChem CID11591222
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name(2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)N(C)CCO)c34)cc2C)cn1
InChIInChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m1/s1
InChIKeyRHKOFLSVENLYDP-LJQANCHMSA-N
XLogP4.40
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Cp-724714
CID 9874913
(2R)-2-[(4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]-N,N-dimethylpropanamide
CID 11569158
Anilinoquinazoline deriv. 33
CID 5329031
(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
(S)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)quinazolin-5-yloxy)methyl)pyrrolidin-1-yl)-2-hydroxyethanone
CID 11569903
(R)-1-morpholino-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propan-1-one
CID 16036788
(R)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16116961
6,7-Dimethoxy-4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazoline
CID 18967573
(R)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)quinazolin-5-yloxy)propyl)-2-hydroxy-N-methylacetamide
CID 44442027

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The IUPAC name of (2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide (CID 11591222) is (2R)-N-(2-hydroxyethyl)-N-methyl-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)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The canonical SMILES for (2R)-N-(2-hydroxyethyl)-N-methyl-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)N(C)CCO)c34)cc2C)cn1.
What is the InChIKey of (2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
The InChIKey is RHKOFLSVENLYDP-LJQANCHMSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide?
(2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide has a molecular weight of 487.56 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-hydroxyethyl)-N-methyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide is sourced from PubChem (CID 11591222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).