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

C24H22ClN5O3 — CID 11684096

IUPAC2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide
SMILESCC(C)(Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(N)=O
InChIInChI=1S/C24H22ClN5O3/c1-24(2,23(26)31)33-20-8-5-7-18-21(20)22(29-14-28-18)30-15-9-10-19(17(25)12-15)32-13-16-6-3-4-11-27-16/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,28,29,30)
InChIKeyZTDGISKEIHFQJM-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.64
Rot. Bonds8

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

2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide (PubChem CID 11684096) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide
PubChem CID11684096
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide
SMILESCC(C)(Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(N)=O
InChIInChI=1S/C24H22ClN5O3/c1-24(2,23(26)31)33-20-8-5-7-18-21(20)22(29-14-28-18)30-15-9-10-19(17(25)12-15)32-13-16-6-3-4-11-27-16/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,28,29,30)
InChIKeyZTDGISKEIHFQJM-UHFFFAOYSA-N
XLogP4.64
TPSA112.25 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 ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide with MolForge

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Related Compounds

Gefitinib
CID 123631
Tuxobertinib
CID 154824631
Anilinoquinazoline deriv. 28
CID 5329026
(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
(R)-N-(3-chloro-4-(pyrazin-2-ylmethoxy)phenyl)-5-(1-(dimethylamino)propan-2-yloxy)quinazolin-4-amine
CID 11751635
Gefitinib Impurity 33
CID 44416610
(Z)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinazolin-6-yl]-4-(dimethylamino)-2-fluorobut-2-enamide
CID 71513822
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinazolin-6-yl]-4-(dimethylamino)-2-fluorobut-2-enamide
CID 71513823
(E)-N-[4-[3-chloro-4-(2-ethoxyethoxy)anilino]-7-(2-ethoxyethoxy)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 118900274
N-(2-chloro-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
CID 11973903
N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide
CID 70683719

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide?
The IUPAC name of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide (CID 11684096) is 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide.
What is the SMILES notation for 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide?
The canonical SMILES for 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide is CC(C)(Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(N)=O.
What is the InChIKey of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide?
The InChIKey is ZTDGISKEIHFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-24(2,23(26)31)33-20-8-5-7-18-21(20)22(29-14-28-18)30-15-9-10-19(17(25)12-15)32-13-16-6-3-4-11-27-16/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,28,29,30).
What are the key properties of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide?
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide has a molecular weight of 463.93 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-2-methylpropanamide is sourced from PubChem (CID 11684096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).