6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine

C30H41N7O — CID 130446899

About 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine

6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine (PubChem CID 130446899) has the molecular formula C30H41N7O and a molecular weight of 515.71 g/mol. Its IUPAC name is 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine
• PubChem CID: 130446899
• Molecular Formula: C30H41N7O
• Molecular Weight: 515.71 g/mol
• Exact Mass: 515.34
• IUPAC Name: 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine
• SMILES: CNc1cncc(-c2ccc3ncnc(NC4CCC(N5CCC(CN6CCOCC6)CC5)CC4)c3c2)c1
• InChI: InChI=1S/C30H41N7O/c1-31-26-16-24(18-32-19-26)23-2-7-29-28(17-23)30(34-21-33-29)35-25-3-5-27(6-4-25)37-10-8-22(9-11-37)20-36-12-14-38-15-13-36/h2,7,16-19,21-22,25,27,31H,3-6,8-15,20H2,1H3,(H,33,34,35)
• InChIKey: PAJSTUXZSNZHID-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 78.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.71
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine?

The IUPAC name of 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine (CID 130446899) is 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine.

What is the SMILES notation for 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine?

The canonical SMILES for 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine is CNc1cncc(-c2ccc3ncnc(NC4CCC(N5CCC(CN6CCOCC6)CC5)CC4)c3c2)c1.

What is the InChIKey of 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine?

The InChIKey is PAJSTUXZSNZHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N7O/c1-31-26-16-24(18-32-19-26)23-2-7-29-28(17-23)30(34-21-33-29)35-25-3-5-27(6-4-25)37-10-8-22(9-11-37)20-36-12-14-38-15-13-36/h2,7,16-19,21-22,25,27,31H,3-6,8-15,20H2,1H3,(H,33,34,35).

What are the key properties of 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine?

6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine has a molecular weight of 515.71 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine is sourced from PubChem (CID 130446899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).