2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

C30H34N6OSi — CID 67513853

IUPAC2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2cc(-c3ccc4ncnc(N5CCCc6ccccc65)c4c3)cnc2n1COCC[Si](C)(C)C
InChIInChI=1S/C30H34N6OSi/c1-21-34-27-17-24(18-31-30(27)36(21)20-37-14-15-38(2,3)4)23-11-12-26-25(16-23)29(33-19-32-26)35-13-7-9-22-8-5-6-10-28(22)35/h5-6,8,10-12,16-19H,7,9,13-15,20H2,1-4H3
InChIKeyVRGDJMOFCUBHED-UHFFFAOYSA-N
MW522.73 g/mol
LogP6.75
Rot. Bonds7

About 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67513853) has the molecular formula C30H34N6OSi and a molecular weight of 522.73 g/mol. Its IUPAC name is 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
PubChem CID67513853
Molecular FormulaC30H34N6OSi
Molecular Weight522.73 g/mol
Exact Mass522.26
IUPAC Name2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2cc(-c3ccc4ncnc(N5CCCc6ccccc65)c4c3)cnc2n1COCC[Si](C)(C)C
InChIInChI=1S/C30H34N6OSi/c1-21-34-27-17-24(18-31-30(27)36(21)20-37-14-15-38(2,3)4)23-11-12-26-25(16-23)29(33-19-32-26)35-13-7-9-22-8-5-6-10-28(22)35/h5-6,8,10-12,16-19H,7,9,13-15,20H2,1-4H3
InChIKeyVRGDJMOFCUBHED-UHFFFAOYSA-N
XLogP6.75
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.73
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (CID 67513853) is 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is Cc1nc2cc(-c3ccc4ncnc(N5CCCc6ccccc65)c4c3)cnc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VRGDJMOFCUBHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6OSi/c1-21-34-27-17-24(18-31-30(27)36(21)20-37-14-15-38(2,3)4)23-11-12-26-25(16-23)29(33-19-32-26)35-13-7-9-22-8-5-6-10-28(22)35/h5-6,8,10-12,16-19H,7,9,13-15,20H2,1-4H3.
What are the key properties of 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 522.73 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-(3,4-dihydro-2H-quinolin-1-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67513853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).