(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide

C24H22ClN5O3 — CID 11705343

IUPAC(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
InChIInChI=1S/C24H22ClN5O3/c1-15(24(31)26-2)33-21-8-5-7-19-22(21)23(29-14-28-19)30-16-9-10-20(18(25)12-16)32-13-17-6-3-4-11-27-17/h3-12,14-15H,13H2,1-2H3,(H,26,31)(H,28,29,30)/t15-/m1/s1
InChIKeyQCTACFWJSRSNOJ-OAHLLOKOSA-N
MW463.93 g/mol
LogP4.51
Rot. Bonds8

About (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide

(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide (PubChem CID 11705343) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide
PubChem CID11705343
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
InChIInChI=1S/C24H22ClN5O3/c1-15(24(31)26-2)33-21-8-5-7-19-22(21)23(29-14-28-19)30-16-9-10-20(18(25)12-16)32-13-17-6-3-4-11-27-17/h3-12,14-15H,13H2,1-2H3,(H,26,31)(H,28,29,30)/t15-/m1/s1
InChIKeyQCTACFWJSRSNOJ-OAHLLOKOSA-N
XLogP4.51
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide (CID 11705343) is (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide is CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12.
What is the InChIKey of (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide?
The InChIKey is QCTACFWJSRSNOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-15(24(31)26-2)33-21-8-5-7-19-22(21)23(29-14-28-19)30-16-9-10-20(18(25)12-16)32-13-17-6-3-4-11-27-17/h3-12,14-15H,13H2,1-2H3,(H,26,31)(H,28,29,30)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide?
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide has a molecular weight of 463.93 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide is sourced from PubChem (CID 11705343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).