4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline

C22H26N4O2 — CID 56887626

IUPAC4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
SMILESc1ccc2c(N3CCN(Cc4ccc(C5CCCCO5)o4)CC3)ncnc2c1
InChIInChI=1S/C22H26N4O2/c1-2-6-19-18(5-1)22(24-16-23-19)26-12-10-25(11-13-26)15-17-8-9-21(28-17)20-7-3-4-14-27-20/h1-2,5-6,8-9,16,20H,3-4,7,10-15H2
InChIKeyJLABSMAEIWXMRN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.79
Rot. Bonds4

About 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline

4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline (PubChem CID 56887626) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
PubChem CID56887626
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
SMILESc1ccc2c(N3CCN(Cc4ccc(C5CCCCO5)o4)CC3)ncnc2c1
InChIInChI=1S/C22H26N4O2/c1-2-6-19-18(5-1)22(24-16-23-19)26-12-10-25(11-13-26)15-17-8-9-21(28-17)20-7-3-4-14-27-20/h1-2,5-6,8-9,16,20H,3-4,7,10-15H2
InChIKeyJLABSMAEIWXMRN-UHFFFAOYSA-N
XLogP3.79
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline (CID 56887626) is 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline is c1ccc2c(N3CCN(Cc4ccc(C5CCCCO5)o4)CC3)ncnc2c1.
What is the InChIKey of 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline?
The InChIKey is JLABSMAEIWXMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-6-19-18(5-1)22(24-16-23-19)26-12-10-25(11-13-26)15-17-8-9-21(28-17)20-7-3-4-14-27-20/h1-2,5-6,8-9,16,20H,3-4,7,10-15H2.
What are the key properties of 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline?
4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline has a molecular weight of 378.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 56887626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).