(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium

C27H35FN9O+ — CID 142605581

About (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium

(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium (PubChem CID 142605581) has the molecular formula C27H35FN9O+ and a molecular weight of 520.64 g/mol. Its IUPAC name is (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium.

Molecular Properties

• Compound Name: (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium
• PubChem CID: 142605581
• Molecular Formula: C27H35FN9O+
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.29
• IUPAC Name: (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium
• SMILES: CNN/C(=C\[NH2+]Cc1cn2c(N)nc3c(F)cccc3c2n1)CCN1CCN(c2ccc(OC)cc2)CC1
• InChI: InChI=1S/C27H34FN9O/c1-30-34-19(10-11-35-12-14-36(15-13-35)21-6-8-22(38-2)9-7-21)16-31-17-20-18-37-26(32-20)23-4-3-5-24(28)25(23)33-27(37)29/h3-9,16,18,30-31,34H,10-15,17H2,1-2H3,(H2,29,33)/p+1/b19-16-
• InChIKey: MWSOMMOLDYYEIR-MNDPQUGUSA-O
• XLogP: 1.45
• TPSA: 112.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium?

The IUPAC name of (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium (CID 142605581) is (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium.

What is the SMILES notation for (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium?

The canonical SMILES for (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium is CNN/C(=C\[NH2+]Cc1cn2c(N)nc3c(F)cccc3c2n1)CCN1CCN(c2ccc(OC)cc2)CC1.

What is the InChIKey of (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium?

The InChIKey is MWSOMMOLDYYEIR-MNDPQUGUSA-O. The full InChI is InChI=1S/C27H34FN9O/c1-30-34-19(10-11-35-12-14-36(15-13-35)21-6-8-22(38-2)9-7-21)16-31-17-20-18-37-26(32-20)23-4-3-5-24(28)25(23)33-27(37)29/h3-9,16,18,30-31,34H,10-15,17H2,1-2H3,(H2,29,33)/p+1/b19-16-.

What are the key properties of (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium?

(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium has a molecular weight of 520.64 g/mol, XLogP of 1.45, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl-[(Z)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)but-1-enyl]azanium is sourced from PubChem (CID 142605581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).