2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol

C29H22N4O2 — CID 176605735

About 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol

2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol (PubChem CID 176605735) has the molecular formula C29H22N4O2 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol.

Molecular Properties

• Compound Name: 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
• PubChem CID: 176605735
• Molecular Formula: C29H22N4O2
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.17
• IUPAC Name: 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
• SMILES: Cc1cnc(-n2c3ccccc3c3ccc(Oc4ccc5cccc(O)c5n4)cc32)cc1N1CC1
• InChI: InChI=1S/C29H22N4O2/c1-18-17-30-27(16-24(18)32-13-14-32)33-23-7-3-2-6-21(23)22-11-10-20(15-25(22)33)35-28-12-9-19-5-4-8-26(34)29(19)31-28/h2-12,15-17,34H,13-14H2,1H3
• InChIKey: LKHWISGLGMPMCV-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 63.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol?

The IUPAC name of 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol (CID 176605735) is 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol.

What is the SMILES notation for 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol?

The canonical SMILES for 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol is Cc1cnc(-n2c3ccccc3c3ccc(Oc4ccc5cccc(O)c5n4)cc32)cc1N1CC1.

What is the InChIKey of 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol?

The InChIKey is LKHWISGLGMPMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O2/c1-18-17-30-27(16-24(18)32-13-14-32)33-23-7-3-2-6-21(23)22-11-10-20(15-25(22)33)35-28-12-9-19-5-4-8-26(34)29(19)31-28/h2-12,15-17,34H,13-14H2,1H3.

What are the key properties of 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol?

2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol has a molecular weight of 458.52 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol is sourced from PubChem (CID 176605735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).