[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone

C21H22FN5O2 — CID 25007787

IUPAC[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESNc1nc(N)c2c(OCC3CCN(C(=O)c4ccccc4F)CC3)cccc2n1
InChIInChI=1S/C21H22FN5O2/c22-15-5-2-1-4-14(15)20(28)27-10-8-13(9-11-27)12-29-17-7-3-6-16-18(17)19(23)26-21(24)25-16/h1-7,13H,8-12H2,(H4,23,24,25,26)
InChIKeyIRNXSOYWRBXYJT-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.86
Rot. Bonds4

About [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone

[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 25007787) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID25007787
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESNc1nc(N)c2c(OCC3CCN(C(=O)c4ccccc4F)CC3)cccc2n1
InChIInChI=1S/C21H22FN5O2/c22-15-5-2-1-4-14(15)20(28)27-10-8-13(9-11-27)12-29-17-7-3-6-16-18(17)19(23)26-21(24)25-16/h1-7,13H,8-12H2,(H4,23,24,25,26)
InChIKeyIRNXSOYWRBXYJT-UHFFFAOYSA-N
XLogP2.86
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone (CID 25007787) is [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone is Nc1nc(N)c2c(OCC3CCN(C(=O)c4ccccc4F)CC3)cccc2n1.
What is the InChIKey of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is IRNXSOYWRBXYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-15-5-2-1-4-14(15)20(28)27-10-8-13(9-11-27)12-29-17-7-3-6-16-18(17)19(23)26-21(24)25-16/h1-7,13H,8-12H2,(H4,23,24,25,26).
What are the key properties of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone?
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 395.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 25007787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).