N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide

C21H24IN5O2 — CID 70995699

About N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide (PubChem CID 70995699) has the molecular formula C21H24IN5O2 and a molecular weight of 505.36 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide
• PubChem CID: 70995699
• Molecular Formula: C21H24IN5O2
• Molecular Weight: 505.36 g/mol
• Exact Mass: 505.10
• IUPAC Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide
• SMILES: CN(C)c1nc(NC2CCC(NC(=O)c3ccc(I)o3)CC2)nc2ccccc12
• InChI: InChI=1S/C21H24IN5O2/c1-27(2)19-15-5-3-4-6-16(15)25-21(26-19)24-14-9-7-13(8-10-14)23-20(28)17-11-12-18(22)29-17/h3-6,11-14H,7-10H2,1-2H3,(H,23,28)(H,24,25,26)
• InChIKey: TXIGQAKZUDMDNK-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 83.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.36
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide?

The IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide (CID 70995699) is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide.

What is the SMILES notation for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide?

The canonical SMILES for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide is CN(C)c1nc(NC2CCC(NC(=O)c3ccc(I)o3)CC2)nc2ccccc12.

What is the InChIKey of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide?

The InChIKey is TXIGQAKZUDMDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24IN5O2/c1-27(2)19-15-5-3-4-6-16(15)25-21(26-19)24-14-9-7-13(8-10-14)23-20(28)17-11-12-18(22)29-17/h3-6,11-14H,7-10H2,1-2H3,(H,23,28)(H,24,25,26).

What are the key properties of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide?

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide has a molecular weight of 505.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide is sourced from PubChem (CID 70995699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).