2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine

C29H26FN7O — CID 138689278

IUPAC2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
SMILESNc1nc2c(F)cccc2c2nc(Cc3ccccc3CN3CCN(c4nc5ccccc5o4)CC3)cn12
InChIInChI=1S/C29H26FN7O/c30-23-9-5-8-22-26(23)34-28(31)37-18-21(32-27(22)37)16-19-6-1-2-7-20(19)17-35-12-14-36(15-13-35)29-33-24-10-3-4-11-25(24)38-29/h1-11,18H,12-17H2,(H2,31,34)
InChIKeyOSDOOXHHCLBCPQ-UHFFFAOYSA-N
MW507.57 g/mol
LogP4.66
Rot. Bonds5

About 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine

2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine (PubChem CID 138689278) has the molecular formula C29H26FN7O and a molecular weight of 507.57 g/mol. Its IUPAC name is 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
PubChem CID138689278
Molecular FormulaC29H26FN7O
Molecular Weight507.57 g/mol
Exact Mass507.22
IUPAC Name2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
SMILESNc1nc2c(F)cccc2c2nc(Cc3ccccc3CN3CCN(c4nc5ccccc5o4)CC3)cn12
InChIInChI=1S/C29H26FN7O/c30-23-9-5-8-22-26(23)34-28(31)37-18-21(32-27(22)37)16-19-6-1-2-7-20(19)17-35-12-14-36(15-13-35)29-33-24-10-3-4-11-25(24)38-29/h1-11,18H,12-17H2,(H2,31,34)
InChIKeyOSDOOXHHCLBCPQ-UHFFFAOYSA-N
XLogP4.66
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine (CID 138689278) is 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine is Nc1nc2c(F)cccc2c2nc(Cc3ccccc3CN3CCN(c4nc5ccccc5o4)CC3)cn12.
What is the InChIKey of 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The InChIKey is OSDOOXHHCLBCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O/c30-23-9-5-8-22-26(23)34-28(31)37-18-21(32-27(22)37)16-19-6-1-2-7-20(19)17-35-12-14-36(15-13-35)29-33-24-10-3-4-11-25(24)38-29/h1-11,18H,12-17H2,(H2,31,34).
What are the key properties of 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine has a molecular weight of 507.57 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138689278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).