(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

IUPAC(6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCCc1cc(C(O)(c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)c2cncn2C)cnc1Cl
InChIInChI=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
InChIKeyQUIBVMSSHLJUAE-UHFFFAOYSA-N
MW657.33 g/mol
LogP9.09
Rot. Bonds11

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 CID174141469
Molecular FormulaC37H45ClN4O3Si
Molecular Weight657.33 g/mol
Exact Mass656.29
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
SMILESCCc1cc(C(O)(c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)c2cncn2C)cnc1Cl
InChIInChI=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
InChIKeyQUIBVMSSHLJUAE-UHFFFAOYSA-N
XLogP9.09
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.33
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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).