6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol

C21H23ClN4O2Si — CID 172562690

IUPAC6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc3ncc(O)cc3c2)c2c(Cl)ncnc21
InChIInChI=1S/C21H23ClN4O2Si/c1-29(2,3)7-6-28-13-26-11-17(19-20(22)24-12-25-21(19)26)14-4-5-18-15(8-14)9-16(27)10-23-18/h4-5,8-12,27H,6-7,13H2,1-3H3
InChIKeyGUSCHTRASHXWAM-UHFFFAOYSA-N
MW426.98 g/mol
LogP5.32
Rot. Bonds6

About 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol

6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol (PubChem CID 172562690) has the molecular formula C21H23ClN4O2Si and a molecular weight of 426.98 g/mol. Its IUPAC name is 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol.

Molecular Properties

Compound Name6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol
PubChem CID172562690
Molecular FormulaC21H23ClN4O2Si
Molecular Weight426.98 g/mol
Exact Mass426.13
IUPAC Name6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc3ncc(O)cc3c2)c2c(Cl)ncnc21
InChIInChI=1S/C21H23ClN4O2Si/c1-29(2,3)7-6-28-13-26-11-17(19-20(22)24-12-25-21(19)26)14-4-5-18-15(8-14)9-16(27)10-23-18/h4-5,8-12,27H,6-7,13H2,1-3H3
InChIKeyGUSCHTRASHXWAM-UHFFFAOYSA-N
XLogP5.32
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.98
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 152679074
[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanone
CID 153450189
[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 86706962
2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150732144
2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150802438
2-[(7-chloro-10,17,20-trioxa-4,6,8,14,23,29-hexazahexacyclo[19.5.3.12,5.112,16.024,28.09,31]hentriaconta-1(27),2,5(31),6,8,12(30),13,15,21,23,25,28-dodecaen-4-yl)methoxy]ethyl-trimethylsilane
CID 174071101
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
N-[4-[4-amino-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine
CID 58597233
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
N,19-dimethyl-4-(2-trimethylsilylethoxymethyl)-10,17,20-trioxa-4,6,8,14,23-pentazahexacyclo[19.5.3.12,5.112,16.024,28.09,31]hentriaconta-1(27),2,5(31),6,8,12(30),13,15,21,23,25,28-dodecaen-7-amine
CID 174071070
N,18-dimethyl-4-(2-trimethylsilylethoxymethyl)-10,17,20-trioxa-4,6,8,14,23-pentazahexacyclo[19.5.3.12,5.112,16.024,28.09,31]hentriaconta-1(27),2,5(31),6,8,12(30),13,15,21,23,25,28-dodecaen-7-amine
CID 174071063
5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide
CID 175867753

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol?
The IUPAC name of 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol (CID 172562690) is 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol.
What is the SMILES notation for 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol?
The canonical SMILES for 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol is C[Si](C)(C)CCOCn1cc(-c2ccc3ncc(O)cc3c2)c2c(Cl)ncnc21.
What is the InChIKey of 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol?
The InChIKey is GUSCHTRASHXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2Si/c1-29(2,3)7-6-28-13-26-11-17(19-20(22)24-12-25-21(19)26)14-4-5-18-15(8-14)9-16(27)10-23-18/h4-5,8-12,27H,6-7,13H2,1-3H3.
What are the key properties of 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol?
6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol has a molecular weight of 426.98 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol is sourced from PubChem (CID 172562690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).