(6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C37H45ClN4O3Si — CID 174141469

About (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

(6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 174141469) has the molecular formula C37H45ClN4O3Si and a molecular weight of 657.33 g/mol. Its IUPAC name is (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
• PubChem CID: 174141469
• Molecular Formula: C37H45ClN4O3Si
• Molecular Weight: 657.33 g/mol
• Exact Mass: 656.29
• IUPAC Name: (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
• SMILES: CCc1cc(C(O)(c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)c2cncn2C)cnc1Cl
• InChI: InChI=1S/C37H45ClN4O3Si/c1-10-26-16-29(20-40-36(26)38)37(43,34-21-39-22-42(34)8)28-14-15-33-32(18-28)31(19-35(41-33)44-9)27-12-11-13-30(17-27)45-46(23(2)3,24(4)5)25(6)7/h11-25,43H,10H2,1-9H3
• InChIKey: QUIBVMSSHLJUAE-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 82.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.33
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The IUPAC name of (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 174141469) is (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

What is the SMILES notation for (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The canonical SMILES for (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is CCc1cc(C(O)(c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)c2cncn2C)cnc1Cl.

What is the InChIKey of (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The InChIKey is QUIBVMSSHLJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45ClN4O3Si/c1-10-26-16-29(20-40-36(26)38)37(43,34-21-39-22-42(34)8)28-14-15-33-32(18-28)31(19-35(41-33)44-9)27-12-11-13-30(17-27)45-46(23(2)3,24(4)5)25(6)7/h11-25,43H,10H2,1-9H3.

What are the key properties of (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

(6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 657.33 g/mol, XLogP of 9.09, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 174141469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).