9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole

C17H20N2O — CID 10730987

IUPAC9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole
SMILES[2H]C([2H])([2H])C([2H])([2H])OCn1c2ccccc2c2c(CCC)cncc21
InChIInChI=1S/C17H20N2O/c1-3-7-13-10-18-11-16-17(13)14-8-5-6-9-15(14)19(16)12-20-4-2/h5-6,8-11H,3-4,7,12H2,1-2H3/i2D3,4D2
InChIKeyQAMQXEUZWCOQAS-PVGOWFQYSA-N
MW273.39 g/mol
LogP4.14
Rot. Bonds6

About 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole

9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole (PubChem CID 10730987) has the molecular formula C17H20N2O and a molecular weight of 273.39 g/mol. Its IUPAC name is 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole
PubChem CID10730987
Molecular FormulaC17H20N2O
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC Name9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole
SMILES[2H]C([2H])([2H])C([2H])([2H])OCn1c2ccccc2c2c(CCC)cncc21
InChIInChI=1S/C17H20N2O/c1-3-7-13-10-18-11-16-17(13)14-8-5-6-9-15(14)19(16)12-20-4-2/h5-6,8-11H,3-4,7,12H2,1-2H3/i2D3,4D2
InChIKeyQAMQXEUZWCOQAS-PVGOWFQYSA-N
XLogP4.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole
CID 146445430
ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
CID 10809190
2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane
CID 10621459
2-[(4-cyclohexylpyrido[3,4-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 10571849
9-(phenylmethoxymethyl)carbazole
CID 2227531
(9-ethyl-3,4-dipropylcarbazol-2-yl) benzoate
CID 152620569
1-propyl-9-(pyrrolidin-1-ylmethyl)carbazole
CID 134905177
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9-(ethoxymethyl)-4-(2-phenylethynyl)pyrido[2,3-b]indole
CID 50924809
carbazol-9-ylmethyl propanoate
CID 122502701
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole
CID 142538939

Frequently Asked Questions

What is the IUPAC name of 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole?
The IUPAC name of 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole (CID 10730987) is 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole.
What is the SMILES notation for 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole?
The canonical SMILES for 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole is [2H]C([2H])([2H])C([2H])([2H])OCn1c2ccccc2c2c(CCC)cncc21.
What is the InChIKey of 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole?
The InChIKey is QAMQXEUZWCOQAS-PVGOWFQYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-7-13-10-18-11-16-17(13)14-8-5-6-9-15(14)19(16)12-20-4-2/h5-6,8-11H,3-4,7,12H2,1-2H3/i2D3,4D2.
What are the key properties of 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole?
9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole has a molecular weight of 273.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole is sourced from PubChem (CID 10730987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).