[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone

C25H25N5O2 — CID 25002414

IUPAC[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESNc1nc(N)c2c(OCC3CCN(C(=O)c4cccc5ccccc45)CC3)cccc2n1
InChIInChI=1S/C25H25N5O2/c26-23-22-20(28-25(27)29-23)9-4-10-21(22)32-15-16-11-13-30(14-12-16)24(31)19-8-3-6-17-5-1-2-7-18(17)19/h1-10,16H,11-15H2,(H4,26,27,28,29)
InChIKeyQOOMDUSJASDCBP-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.88
Rot. Bonds4

About [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone

[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 25002414) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID25002414
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESNc1nc(N)c2c(OCC3CCN(C(=O)c4cccc5ccccc45)CC3)cccc2n1
InChIInChI=1S/C25H25N5O2/c26-23-22-20(28-25(27)29-23)9-4-10-21(22)32-15-16-11-13-30(14-12-16)24(31)19-8-3-6-17-5-1-2-7-18(17)19/h1-10,16H,11-15H2,(H4,26,27,28,29)
InChIKeyQOOMDUSJASDCBP-UHFFFAOYSA-N
XLogP3.88
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.88
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]-naphthalen-1-ylmethanone?
The IUPAC name of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone (CID 25002414) is [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone is Nc1nc(N)c2c(OCC3CCN(C(=O)c4cccc5ccccc45)CC3)cccc2n1.
What is the InChIKey of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is QOOMDUSJASDCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-23-22-20(28-25(27)29-23)9-4-10-21(22)32-15-16-11-13-30(14-12-16)24(31)19-8-3-6-17-5-1-2-7-18(17)19/h1-10,16H,11-15H2,(H4,26,27,28,29).
What are the key properties of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone?
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 427.51 g/mol, XLogP of 3.88, 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]-naphthalen-1-ylmethanone is sourced from PubChem (CID 25002414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).