4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide

C32H27FN6O3 — CID 138689634

IUPAC4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(=O)Nc5ccccn5)cc4)cn23)c(OC)c1
InChIInChI=1S/C32H27FN6O3/c1-41-24-14-13-22(27(17-24)42-2)18-35-32-38-29-25(6-5-7-26(29)33)30-36-23(19-39(30)32)16-20-9-11-21(12-10-20)31(40)37-28-8-3-4-15-34-28/h3-15,17,19H,16,18H2,1-2H3,(H,35,38)(H,34,37,40)
InChIKeyUASNLNVRGSRTQQ-UHFFFAOYSA-N
MW562.61 g/mol
LogP5.89
Rot. Bonds9

About 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide

4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide (PubChem CID 138689634) has the molecular formula C32H27FN6O3 and a molecular weight of 562.61 g/mol. Its IUPAC name is 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide
PubChem CID138689634
Molecular FormulaC32H27FN6O3
Molecular Weight562.61 g/mol
Exact Mass562.21
IUPAC Name4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(=O)Nc5ccccn5)cc4)cn23)c(OC)c1
InChIInChI=1S/C32H27FN6O3/c1-41-24-14-13-22(27(17-24)42-2)18-35-32-38-29-25(6-5-7-26(29)33)30-36-23(19-39(30)32)16-20-9-11-21(12-10-20)31(40)37-28-8-3-4-15-34-28/h3-15,17,19H,16,18H2,1-2H3,(H,35,38)(H,34,37,40)
InChIKeyUASNLNVRGSRTQQ-UHFFFAOYSA-N
XLogP5.89
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.61
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide (CID 138689634) is 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide is COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(=O)Nc5ccccn5)cc4)cn23)c(OC)c1.
What is the InChIKey of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide?
The InChIKey is UASNLNVRGSRTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN6O3/c1-41-24-14-13-22(27(17-24)42-2)18-35-32-38-29-25(6-5-7-26(29)33)30-36-23(19-39(30)32)16-20-9-11-21(12-10-20)31(40)37-28-8-3-4-15-34-28/h3-15,17,19H,16,18H2,1-2H3,(H,35,38)(H,34,37,40).
What are the key properties of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide?
4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide has a molecular weight of 562.61 g/mol, XLogP of 5.89, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 138689634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).