3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol

C26H23FN4O3 — CID 138689466

IUPAC3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4cccc(O)c4)cn23)c(OC)c1
InChIInChI=1S/C26H23FN4O3/c1-33-20-10-9-17(23(13-20)34-2)14-28-26-30-24-21(7-4-8-22(24)27)25-29-18(15-31(25)26)11-16-5-3-6-19(32)12-16/h3-10,12-13,15,32H,11,14H2,1-2H3,(H,28,30)
InChIKeyFCVMZOKJHYWFCQ-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.95
Rot. Bonds7

About 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol

3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol (PubChem CID 138689466) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol
PubChem CID138689466
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC Name3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4cccc(O)c4)cn23)c(OC)c1
InChIInChI=1S/C26H23FN4O3/c1-33-20-10-9-17(23(13-20)34-2)14-28-26-30-24-21(7-4-8-22(24)27)25-29-18(15-31(25)26)11-16-5-3-6-19(32)12-16/h3-10,12-13,15,32H,11,14H2,1-2H3,(H,28,30)
InChIKeyFCVMZOKJHYWFCQ-UHFFFAOYSA-N
XLogP4.95
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol?
The IUPAC name of 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol (CID 138689466) is 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol?
The canonical SMILES for 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol is COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4cccc(O)c4)cn23)c(OC)c1.
What is the InChIKey of 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol?
The InChIKey is FCVMZOKJHYWFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-33-20-10-9-17(23(13-20)34-2)14-28-26-30-24-21(7-4-8-22(24)27)25-29-18(15-31(25)26)11-16-5-3-6-19(32)12-16/h3-10,12-13,15,32H,11,14H2,1-2H3,(H,28,30).
What are the key properties of 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol?
3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol has a molecular weight of 458.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol is sourced from PubChem (CID 138689466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).