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

C25H24ClN5O3 — CID 11569158

IUPAC(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide
SMILESC[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C
InChIInChI=1S/C25H24ClN5O3/c1-16(25(32)31(2)3)34-22-9-6-8-20-23(22)24(29-15-28-20)30-17-10-11-21(19(26)13-17)33-14-18-7-4-5-12-27-18/h4-13,15-16H,14H2,1-3H3,(H,28,29,30)/t16-/m1/s1
InChIKeyQPPYSOHWFOUKPX-MRXNPFEDSA-N
MW477.95 g/mol
LogP4.86
Rot. Bonds8

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

(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide (PubChem CID 11569158) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide
PubChem CID11569158
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC Name(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide
SMILESC[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C
InChIInChI=1S/C25H24ClN5O3/c1-16(25(32)31(2)3)34-22-9-6-8-20-23(22)24(29-15-28-20)30-17-10-11-21(19(26)13-17)33-14-18-7-4-5-12-27-18/h4-13,15-16H,14H2,1-3H3,(H,28,29,30)/t16-/m1/s1
InChIKeyQPPYSOHWFOUKPX-MRXNPFEDSA-N
XLogP4.86
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.86
H-Bond Donors ≤ 51
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,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide (CID 11569158) is (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide is C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide?
The InChIKey is QPPYSOHWFOUKPX-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-16(25(32)31(2)3)34-22-9-6-8-20-23(22)24(29-15-28-20)30-17-10-11-21(19(26)13-17)33-14-18-7-4-5-12-27-18/h4-13,15-16H,14H2,1-3H3,(H,28,29,30)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide?
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N,N-dimethylpropanamide has a molecular weight of 477.95 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 11569158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).