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

C23H15FN6O — CID 138689322

IUPAC2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
SMILESNc1nc2c(F)cccc2c2nc(Cc3cccc(-c4ccc5nonc5c4)c3)cn12
InChIInChI=1S/C23H15FN6O/c24-18-6-2-5-17-21(18)27-23(25)30-12-16(26-22(17)30)10-13-3-1-4-14(9-13)15-7-8-19-20(11-15)29-31-28-19/h1-9,11-12H,10H2,(H2,25,27)
InChIKeyWCTVOYHHPORTEW-UHFFFAOYSA-N
MW410.41 g/mol
LogP4.40
Rot. Bonds3

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

2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine (PubChem CID 138689322) has the molecular formula C23H15FN6O and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
PubChem CID138689322
Molecular FormulaC23H15FN6O
Molecular Weight410.41 g/mol
Exact Mass410.13
IUPAC Name2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
SMILESNc1nc2c(F)cccc2c2nc(Cc3cccc(-c4ccc5nonc5c4)c3)cn12
InChIInChI=1S/C23H15FN6O/c24-18-6-2-5-17-21(18)27-23(25)30-12-16(26-22(17)30)10-13-3-1-4-14(9-13)15-7-8-19-20(11-15)29-31-28-19/h1-9,11-12H,10H2,(H2,25,27)
InChIKeyWCTVOYHHPORTEW-UHFFFAOYSA-N
XLogP4.40
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine (CID 138689322) is 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine is Nc1nc2c(F)cccc2c2nc(Cc3cccc(-c4ccc5nonc5c4)c3)cn12.
What is the InChIKey of 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The InChIKey is WCTVOYHHPORTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6O/c24-18-6-2-5-17-21(18)27-23(25)30-12-16(26-22(17)30)10-13-3-1-4-14(9-13)15-7-8-19-20(11-15)29-31-28-19/h1-9,11-12H,10H2,(H2,25,27).
What are the key properties of 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine has a molecular weight of 410.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,1,3-benzoxadiazol-5-yl)phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138689322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).