1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one

C25H30N4O3 — CID 58795726

IUPAC1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one
SMILESCCOc1ccc(Nc2ncnc3cccc(OCC4CCCCN4C(=O)CC)c23)cc1
InChIInChI=1S/C25H30N4O3/c1-3-23(30)29-15-6-5-8-19(29)16-32-22-10-7-9-21-24(22)25(27-17-26-21)28-18-11-13-20(14-12-18)31-4-2/h7,9-14,17,19H,3-6,8,15-16H2,1-2H3,(H,26,27,28)
InChIKeyIPOPRCQVOUORQW-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.94
Rot. Bonds8

About 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one

1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one (PubChem CID 58795726) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one
PubChem CID58795726
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one
SMILESCCOc1ccc(Nc2ncnc3cccc(OCC4CCCCN4C(=O)CC)c23)cc1
InChIInChI=1S/C25H30N4O3/c1-3-23(30)29-15-6-5-8-19(29)16-32-22-10-7-9-21-24(22)25(27-17-26-21)28-18-11-13-20(14-12-18)31-4-2/h7,9-14,17,19H,3-6,8,15-16H2,1-2H3,(H,26,27,28)
InChIKeyIPOPRCQVOUORQW-UHFFFAOYSA-N
XLogP4.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(2S)-2-[[4-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 69025146
1-[(2R)-2-[[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]-2-hydroxyethanone
CID 69025575
2-methoxy-1-[(2R)-2-[[4-[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]ethanone
CID 11649265
2-hydroxy-1-[(2R)-2-[[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]ethanone
CID 11853988
1-[2-[[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 69457969
1-[(2S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 11569903
2-hydroxy-1-[(2R)-2-[[4-[[1-(1,3-thiazol-4-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]ethanone
CID 68944059
1-[(2R)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 11606370
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354992
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
1-[(2R)-2-[[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 11431121
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032650

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one (CID 58795726) is 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one is CCOc1ccc(Nc2ncnc3cccc(OCC4CCCCN4C(=O)CC)c23)cc1.
What is the InChIKey of 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one?
The InChIKey is IPOPRCQVOUORQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-23(30)29-15-6-5-8-19(29)16-32-22-10-7-9-21-24(22)25(27-17-26-21)28-18-11-13-20(14-12-18)31-4-2/h7,9-14,17,19H,3-6,8,15-16H2,1-2H3,(H,26,27,28).
What are the key properties of 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one?
1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-ethoxyanilino)quinazolin-5-yl]oxymethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 58795726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).