cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol

C26H33N3O2 — CID 137479021

About cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol

cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol (PubChem CID 137479021) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol
• PubChem CID: 137479021
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol
• SMILES: Cc1cc2c(N[C@@H]3CC[C@H](O)C3)c3ccccc3nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C26H33N3O2/c1-18-15-22-24(17-25(18)31-14-6-13-29-11-4-5-12-29)28-23-8-3-2-7-21(23)26(22)27-19-9-10-20(30)16-19/h2-3,7-8,15,17,19-20,30H,4-6,9-14,16H2,1H3,(H,27,28)/t19-,20+/m1/s1
• InChIKey: ZZSAZRLRMYQWSU-UXHICEINSA-N
• XLogP: 4.89
• TPSA: 57.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol?

The IUPAC name of cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol (CID 137479021) is cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol.

What is the SMILES notation for cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol?

The canonical SMILES for cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol is Cc1cc2c(N[C@@H]3CC[C@H](O)C3)c3ccccc3nc2cc1OCCCN1CCCC1.

What is the InChIKey of cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol?

The InChIKey is ZZSAZRLRMYQWSU-UXHICEINSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18-15-22-24(17-25(18)31-14-6-13-29-11-4-5-12-29)28-23-8-3-2-7-21(23)26(22)27-19-9-10-20(30)16-19/h2-3,7-8,15,17,19-20,30H,4-6,9-14,16H2,1H3,(H,27,28)/t19-,20+/m1/s1.

What are the key properties of cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol?

cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol has a molecular weight of 419.57 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 137479021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).