carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+)

C32H35ClN2O5U — CID 163941647

About carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+)

carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+) (PubChem CID 163941647) has the molecular formula C32H35ClN2O5U and a molecular weight of 801.12 g/mol. Its IUPAC name is carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+).

Molecular Properties

• Compound Name: carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+)
• PubChem CID: 163941647
• Molecular Formula: C32H35ClN2O5U
• Molecular Weight: 801.12 g/mol
• Exact Mass: 800.27
• IUPAC Name: carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+)
• SMILES: CCn1c2c(c3cc(Cl)ccc31)CCN(C(=O)Oc1cc[c-]cc1)C2c1ccc(OCCOCCOC)cc1.[CH3-].[U+2]
• InChI: InChI=1S/C31H32ClN2O5.CH3.U/c1-3-33-28-14-11-23(32)21-27(28)26-15-16-34(31(35)39-25-7-5-4-6-8-25)29(30(26)33)22-9-12-24(13-10-22)38-20-19-37-18-17-36-2;;/h5-14,21,29H,3,15-20H2,1-2H3;1H3;/q2*-1;+2
• InChIKey: XGMPTXIEAGITJI-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 62.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.12
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+)?

The IUPAC name of carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+) (CID 163941647) is carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+).

What is the SMILES notation for carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+)?

The canonical SMILES for carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+) is CCn1c2c(c3cc(Cl)ccc31)CCN(C(=O)Oc1cc[c-]cc1)C2c1ccc(OCCOCCOC)cc1.[CH3-].[U+2].

What is the InChIKey of carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+)?

The InChIKey is XGMPTXIEAGITJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN2O5.CH3.U/c1-3-33-28-14-11-23(32)21-27(28)26-15-16-34(31(35)39-25-7-5-4-6-8-25)29(30(26)33)22-9-12-24(13-10-22)38-20-19-37-18-17-36-2;;/h5-14,21,29H,3,15-20H2,1-2H3;1H3;/q2*-1;+2.

What are the key properties of carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+)?

carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+) has a molecular weight of 801.12 g/mol, XLogP of 6.75, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;phenyl 6-chloro-9-ethyl-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;uranium(2+) is sourced from PubChem (CID 163941647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).