4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide

C33H34FN7O5 — CID 138689470

IUPAC4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(=O)NNC(=O)CN5CCOCC5)cc4)cn23)c(OC)c1
InChIInChI=1S/C33H34FN7O5/c1-44-25-11-10-23(28(17-25)45-2)18-35-33-37-30-26(4-3-5-27(30)34)31-36-24(19-41(31)33)16-21-6-8-22(9-7-21)32(43)39-38-29(42)20-40-12-14-46-15-13-40/h3-11,17,19H,12-16,18,20H2,1-2H3,(H,35,37)(H,38,42)(H,39,43)
InChIKeyZEXXHEGKGBKANH-UHFFFAOYSA-N
MW627.68 g/mol
LogP3.33
Rot. Bonds10

About 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide

4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide (PubChem CID 138689470) has the molecular formula C33H34FN7O5 and a molecular weight of 627.68 g/mol. Its IUPAC name is 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide
PubChem CID138689470
Molecular FormulaC33H34FN7O5
Molecular Weight627.68 g/mol
Exact Mass627.26
IUPAC Name4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(=O)NNC(=O)CN5CCOCC5)cc4)cn23)c(OC)c1
InChIInChI=1S/C33H34FN7O5/c1-44-25-11-10-23(28(17-25)45-2)18-35-33-37-30-26(4-3-5-27(30)34)31-36-24(19-41(31)33)16-21-6-8-22(9-7-21)32(43)39-38-29(42)20-40-12-14-46-15-13-40/h3-11,17,19H,12-16,18,20H2,1-2H3,(H,35,37)(H,38,42)(H,39,43)
InChIKeyZEXXHEGKGBKANH-UHFFFAOYSA-N
XLogP3.33
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.68
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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'-(2-morpholin-4-ylacetyl)benzohydrazide?
The IUPAC name of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide (CID 138689470) is 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide.
What is the SMILES notation for 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide?
The canonical SMILES for 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide is COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(=O)NNC(=O)CN5CCOCC5)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'-(2-morpholin-4-ylacetyl)benzohydrazide?
The InChIKey is ZEXXHEGKGBKANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN7O5/c1-44-25-11-10-23(28(17-25)45-2)18-35-33-37-30-26(4-3-5-27(30)34)31-36-24(19-41(31)33)16-21-6-8-22(9-7-21)32(43)39-38-29(42)20-40-12-14-46-15-13-40/h3-11,17,19H,12-16,18,20H2,1-2H3,(H,35,37)(H,38,42)(H,39,43).
What are the key properties of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide?
4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N'-(2-morpholin-4-ylacetyl)benzohydrazide has a molecular weight of 627.68 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 10 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'-(2-morpholin-4-ylacetyl)benzohydrazide is sourced from PubChem (CID 138689470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).