2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline

C18H20F4N4 — CID 148519917

IUPAC2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
SMILESFC1(F)CCN(c2nc(N3CCC(F)(F)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C18H20F4N4/c19-17(20)5-9-25(10-6-17)15-13-3-1-2-4-14(13)23-16(24-15)26-11-7-18(21,22)8-12-26/h1-4H,5-12H2
InChIKeyMOEXPBAJUGDHGK-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.10
Rot. Bonds2

About 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline

2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline (PubChem CID 148519917) has the molecular formula C18H20F4N4 and a molecular weight of 368.38 g/mol. Its IUPAC name is 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
PubChem CID148519917
Molecular FormulaC18H20F4N4
Molecular Weight368.38 g/mol
Exact Mass368.16
IUPAC Name2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
SMILESFC1(F)CCN(c2nc(N3CCC(F)(F)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C18H20F4N4/c19-17(20)5-9-25(10-6-17)15-13-3-1-2-4-14(13)23-16(24-15)26-11-7-18(21,22)8-12-26/h1-4H,5-12H2
InChIKeyMOEXPBAJUGDHGK-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline?
The IUPAC name of 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline (CID 148519917) is 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline.
What is the SMILES notation for 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline?
The canonical SMILES for 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline is FC1(F)CCN(c2nc(N3CCC(F)(F)CC3)c3ccccc3n2)CC1.
What is the InChIKey of 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline?
The InChIKey is MOEXPBAJUGDHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4/c19-17(20)5-9-25(10-6-17)15-13-3-1-2-4-14(13)23-16(24-15)26-11-7-18(21,22)8-12-26/h1-4H,5-12H2.
What are the key properties of 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline?
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline has a molecular weight of 368.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline is sourced from PubChem (CID 148519917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).