5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine

C21H23F2N5O — CID 68875884

IUPAC5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OC(Cc3cccc(F)c3F)C3CCNCC3)cccc2n1
InChIInChI=1S/C21H23F2N5O/c22-14-4-1-3-13(19(14)23)11-17(12-7-9-26-10-8-12)29-16-6-2-5-15-18(16)20(24)28-21(25)27-15/h1-6,12,17,26H,7-11H2,(H4,24,25,27,28)
InChIKeyYPQIFEOHCLZKJC-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.06
Rot. Bonds5

About 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine

5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine (PubChem CID 68875884) has the molecular formula C21H23F2N5O and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine
PubChem CID68875884
Molecular FormulaC21H23F2N5O
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OC(Cc3cccc(F)c3F)C3CCNCC3)cccc2n1
InChIInChI=1S/C21H23F2N5O/c22-14-4-1-3-13(19(14)23)11-17(12-7-9-26-10-8-12)29-16-6-2-5-15-18(16)20(24)28-21(25)27-15/h1-6,12,17,26H,7-11H2,(H4,24,25,27,28)
InChIKeyYPQIFEOHCLZKJC-UHFFFAOYSA-N
XLogP3.06
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine (CID 68875884) is 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OC(Cc3cccc(F)c3F)C3CCNCC3)cccc2n1.
What is the InChIKey of 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine?
The InChIKey is YPQIFEOHCLZKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O/c22-14-4-1-3-13(19(14)23)11-17(12-7-9-26-10-8-12)29-16-6-2-5-15-18(16)20(24)28-21(25)27-15/h1-6,12,17,26H,7-11H2,(H4,24,25,27,28).
What are the key properties of 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine?
5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine has a molecular weight of 399.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 68875884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).