3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol

C22H30FNO3Si — CID 177203284

IUPAC3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol
SMILESCOCOc1cc(O)cc2ncc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c12
InChIInChI=1S/C22H30FNO3Si/c1-14(2)28(15(3)4,16(5)6)9-8-18-19(23)12-24-20-10-17(25)11-21(22(18)20)27-13-26-7/h10-12,14-16,25H,13H2,1-7H3
InChIKeyYMAVABXOXMGFTP-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.63
Rot. Bonds6

About 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol

3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol (PubChem CID 177203284) has the molecular formula C22H30FNO3Si and a molecular weight of 403.57 g/mol. Its IUPAC name is 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol.

Molecular Properties

Compound Name3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol
PubChem CID177203284
Molecular FormulaC22H30FNO3Si
Molecular Weight403.57 g/mol
Exact Mass403.20
IUPAC Name3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol
SMILESCOCOc1cc(O)cc2ncc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c12
InChIInChI=1S/C22H30FNO3Si/c1-14(2)28(15(3)4,16(5)6)9-8-18-19(23)12-24-20-10-17(25)11-21(22(18)20)27-13-26-7/h10-12,14-16,25H,13H2,1-7H3
InChIKeyYMAVABXOXMGFTP-UHFFFAOYSA-N
XLogP5.63
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
CID 169315117
[4-ethynyl-3-fluoro-5-(methoxymethoxy)quinolin-7-yl] acetate
CID 177203417
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
ethyl 6-fluoro-4-(trifluoromethylsulfonyloxy)-5-[2-tri(propan-2-yl)silylethynyl]naphthalene-2-carboxylate
CID 170902466
2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one
CID 172607439
2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 172770532
7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 169013158
CID 172634640
CID 172634640
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
[3-(difluoromethyl)-7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]boronic acid
CID 178065635
[3-cyano-7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl] trifluoromethanesulfonate
CID 168987539
2-[8-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 175916525

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol?
The IUPAC name of 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol (CID 177203284) is 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol.
What is the SMILES notation for 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol?
The canonical SMILES for 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol is COCOc1cc(O)cc2ncc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c12.
What is the InChIKey of 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol?
The InChIKey is YMAVABXOXMGFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO3Si/c1-14(2)28(15(3)4,16(5)6)9-8-18-19(23)12-24-20-10-17(25)11-21(22(18)20)27-13-26-7/h10-12,14-16,25H,13H2,1-7H3.
What are the key properties of 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol?
3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol has a molecular weight of 403.57 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(methoxymethoxy)-4-[2-tri(propan-2-yl)silylethynyl]quinolin-7-ol is sourced from PubChem (CID 177203284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).