7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one

C18H21ClN2O2Si — CID 21135820

IUPAC7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
SMILESC[Si](C)(C)CCOCn1c2ccc(Cl)cc2c(=O)c2cccnc21
InChIInChI=1S/C18H21ClN2O2Si/c1-24(2,3)10-9-23-12-21-16-7-6-13(19)11-15(16)17(22)14-5-4-8-20-18(14)21/h4-8,11H,9-10,12H2,1-3H3
InChIKeyIPPUYDAKMMYNBL-UHFFFAOYSA-N
MW360.92 g/mol
LogP4.52
Rot. Bonds5

About 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one

7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one (PubChem CID 21135820) has the molecular formula C18H21ClN2O2Si and a molecular weight of 360.92 g/mol. Its IUPAC name is 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
PubChem CID21135820
Molecular FormulaC18H21ClN2O2Si
Molecular Weight360.92 g/mol
Exact Mass360.11
IUPAC Name7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
SMILESC[Si](C)(C)CCOCn1c2ccc(Cl)cc2c(=O)c2cccnc21
InChIInChI=1S/C18H21ClN2O2Si/c1-24(2,3)10-9-23-12-21-16-7-6-13(19)11-15(16)17(22)14-5-4-8-20-18(14)21/h4-8,11H,9-10,12H2,1-3H3
InChIKeyIPPUYDAKMMYNBL-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.92
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane
CID 71497150
tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate
CID 170545867
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 21081676
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
CID 58577628
2-chloro-10-(3-phenoxypropyl)acridin-9-one
CID 139792441
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 171106231

Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one?
The IUPAC name of 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one (CID 21135820) is 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one?
The canonical SMILES for 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one is C[Si](C)(C)CCOCn1c2ccc(Cl)cc2c(=O)c2cccnc21.
What is the InChIKey of 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one?
The InChIKey is IPPUYDAKMMYNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2Si/c1-24(2,3)10-9-23-12-21-16-7-6-13(19)11-15(16)17(22)14-5-4-8-20-18(14)21/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one?
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one has a molecular weight of 360.92 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 21135820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).