4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide

C36H35Cl2N3O4Si — CID 19592337

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide
SMILESCON(C)C(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H35Cl2N3O4Si/c1-36(2,3)46(24-14-8-6-9-15-24,25-16-10-7-11-17-25)45-23-28-26-18-12-21-31(33(26)39-22-27(28)35(43)41(4)44-5)40-34(42)32-29(37)19-13-20-30(32)38/h6-22H,23H2,1-5H3,(H,40,42)
InChIKeyRTYQSUILWNORNZ-UHFFFAOYSA-N
MW672.69 g/mol
LogP7.50
Rot. Bonds9

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide (PubChem CID 19592337) has the molecular formula C36H35Cl2N3O4Si and a molecular weight of 672.69 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide
PubChem CID19592337
Molecular FormulaC36H35Cl2N3O4Si
Molecular Weight672.69 g/mol
Exact Mass671.18
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide
SMILESCON(C)C(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H35Cl2N3O4Si/c1-36(2,3)46(24-14-8-6-9-15-24,25-16-10-7-11-17-25)45-23-28-26-18-12-21-31(33(26)39-22-27(28)35(43)41(4)44-5)40-34(42)32-29(37)19-13-20-30(32)38/h6-22H,23H2,1-5H3,(H,40,42)
InChIKeyRTYQSUILWNORNZ-UHFFFAOYSA-N
XLogP7.50
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.69
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide (CID 19592337) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide is CON(C)C(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide?
The InChIKey is RTYQSUILWNORNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35Cl2N3O4Si/c1-36(2,3)46(24-14-8-6-9-15-24,25-16-10-7-11-17-25)45-23-28-26-18-12-21-31(33(26)39-22-27(28)35(43)41(4)44-5)40-34(42)32-29(37)19-13-20-30(32)38/h6-22H,23H2,1-5H3,(H,40,42).
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide has a molecular weight of 672.69 g/mol, XLogP of 7.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-[(2,6-dichlorobenzoyl)amino]-N-methoxy-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 19592337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).