N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine

C31H41N5O2 — CID 118513400

About N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine

N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 118513400) has the molecular formula C31H41N5O2 and a molecular weight of 515.70 g/mol. Its IUPAC name is N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine
• PubChem CID: 118513400
• Molecular Formula: C31H41N5O2
• Molecular Weight: 515.70 g/mol
• Exact Mass: 515.33
• IUPAC Name: N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine
• SMILES: COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(CNCCN4CCOCC4)cc23)CC1
• InChI: InChI=1S/C31H41N5O2/c1-31(11-12-31)30-33-27-8-7-23(22-32-13-16-35-17-19-38-20-18-35)21-26(27)29(34-30)36-14-9-24(10-15-36)25-5-3-4-6-28(25)37-2/h3-8,21,24,32H,9-20,22H2,1-2H3
• InChIKey: MUSKKKCGOSCCOF-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 62.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.70
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine?

The IUPAC name of N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine (CID 118513400) is N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine.

What is the SMILES notation for N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine?

The canonical SMILES for N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine is COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(CNCCN4CCOCC4)cc23)CC1.

What is the InChIKey of N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine?

The InChIKey is MUSKKKCGOSCCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O2/c1-31(11-12-31)30-33-27-8-7-23(22-32-13-16-35-17-19-38-20-18-35)21-26(27)29(34-30)36-14-9-24(10-15-36)25-5-3-4-6-28(25)37-2/h3-8,21,24,32H,9-20,22H2,1-2H3.

What are the key properties of N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine?

N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 515.70 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 118513400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).