2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane

C23H25ClN2OSi — CID 10621459

IUPAC2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ccccc2c2c(-c3ccc(Cl)cc3)cncc21
InChIInChI=1S/C23H25ClN2OSi/c1-28(2,3)13-12-27-16-26-21-7-5-4-6-19(21)23-20(14-25-15-22(23)26)17-8-10-18(24)11-9-17/h4-11,14-15H,12-13,16H2,1-3H3
InChIKeyPCNKSRJBUWXLKN-UHFFFAOYSA-N
MW409.01 g/mol
LogP6.82
Rot. Bonds6

About 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane

2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane (PubChem CID 10621459) has the molecular formula C23H25ClN2OSi and a molecular weight of 409.01 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane
PubChem CID10621459
Molecular FormulaC23H25ClN2OSi
Molecular Weight409.01 g/mol
Exact Mass408.14
IUPAC Name2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ccccc2c2c(-c3ccc(Cl)cc3)cncc21
InChIInChI=1S/C23H25ClN2OSi/c1-28(2,3)13-12-27-16-26-21-7-5-4-6-19(21)23-20(14-25-15-22(23)26)17-8-10-18(24)11-9-17/h4-11,14-15H,12-13,16H2,1-3H3
InChIKeyPCNKSRJBUWXLKN-UHFFFAOYSA-N
XLogP6.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.01
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[(4-cyclohexylpyrido[3,4-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 10571849
ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
CID 10809190
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
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride
CID 10983096
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
trimethyl-[2-[(10-nitro-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]silane
CID 71497092
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933
9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole
CID 10730987
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
CID 6538848
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane (CID 10621459) is 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c2ccccc2c2c(-c3ccc(Cl)cc3)cncc21.
What is the InChIKey of 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is PCNKSRJBUWXLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2OSi/c1-28(2,3)13-12-27-16-26-21-7-5-4-6-19(21)23-20(14-25-15-22(23)26)17-8-10-18(24)11-9-17/h4-11,14-15H,12-13,16H2,1-3H3.
What are the key properties of 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 409.01 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 10621459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).