ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate

C20H23NO3 — CID 56645067

IUPACethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccc(OCCC(C)C)cc2n2ccccc12
InChIInChI=1S/C20H23NO3/c1-4-23-20(22)19-16-9-8-15(24-12-10-14(2)3)13-18(16)21-11-6-5-7-17(19)21/h5-9,11,13-14H,4,10,12H2,1-3H3
InChIKeyVUYHHLIMMAXZHW-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.69
Rot. Bonds6

About ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate

ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 56645067) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
PubChem CID56645067
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccc(OCCC(C)C)cc2n2ccccc12
InChIInChI=1S/C20H23NO3/c1-4-23-20(22)19-16-9-8-15(24-12-10-14(2)3)13-18(16)21-11-6-5-7-17(19)21/h5-9,11,13-14H,4,10,12H2,1-3H3
InChIKeyVUYHHLIMMAXZHW-UHFFFAOYSA-N
XLogP4.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66666918
ethyl 3-[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate
CID 3717941
pentyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667599
propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666599
hept-3-yn-2-yl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667700
hex-3-yn-2-yl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667081
methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666855
2-hydroxybut-3-enyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66665871
methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 56644027
methyl 3-(1-cyanoethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667840
3-methoxypyrido[1,2-a]indole-10-carboxamide
CID 56645534

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate (CID 56645067) is ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2ccc(OCCC(C)C)cc2n2ccccc12.
What is the InChIKey of ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is VUYHHLIMMAXZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-23-20(22)19-16-9-8-15(24-12-10-14(2)3)13-18(16)21-11-6-5-7-17(19)21/h5-9,11,13-14H,4,10,12H2,1-3H3.
What are the key properties of ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate?
ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 56645067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).