N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane

C28H34N6O — CID 157175522

About N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane

N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane (PubChem CID 157175522) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane.

Molecular Properties

• Compound Name: N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
• PubChem CID: 157175522
• Molecular Formula: C28H34N6O
• Molecular Weight: 470.62 g/mol
• Exact Mass: 470.28
• IUPAC Name: N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
• SMILES: C.CN(C)c1nc(NC2CCC(CNC(=O)c3cnc4ccccc4c3)CC2)nc2ccccc12
• InChI: InChI=1S/C27H30N6O.CH4/c1-33(2)25-22-8-4-6-10-24(22)31-27(32-25)30-21-13-11-18(12-14-21)16-29-26(34)20-15-19-7-3-5-9-23(19)28-17-20;/h3-10,15,17-18,21H,11-14,16H2,1-2H3,(H,29,34)(H,30,31,32);1H4
• InChIKey: ANYNJYBLNHDJOQ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.62
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane?

The IUPAC name of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane (CID 157175522) is N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane.

What is the SMILES notation for N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane?

The canonical SMILES for N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane is C.CN(C)c1nc(NC2CCC(CNC(=O)c3cnc4ccccc4c3)CC2)nc2ccccc12.

What is the InChIKey of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane?

The InChIKey is ANYNJYBLNHDJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O.CH4/c1-33(2)25-22-8-4-6-10-24(22)31-27(32-25)30-21-13-11-18(12-14-21)16-29-26(34)20-15-19-7-3-5-9-23(19)28-17-20;/h3-10,15,17-18,21H,11-14,16H2,1-2H3,(H,29,34)(H,30,31,32);1H4.

What are the key properties of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane?

N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane has a molecular weight of 470.62 g/mol, XLogP of 5.28, 6 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]methyl]quinoline-3-carboxamide;methane is sourced from PubChem (CID 157175522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).