propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate

C20H23NO5S — CID 66666599

IUPACpropyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCCCOC(=O)c1c2ccc(OC(C)CS(C)(=O)=O)cc2n2ccccc12
InChIInChI=1S/C20H23NO5S/c1-4-11-25-20(22)19-16-9-8-15(26-14(2)13-27(3,23)24)12-18(16)21-10-6-5-7-17(19)21/h5-10,12,14H,4,11,13H2,1-3H3
InChIKeyZTTSDWSGQPKEPB-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.47
Rot. Bonds7

About propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate

propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66666599) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namepropyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66666599
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Namepropyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCCCOC(=O)c1c2ccc(OC(C)CS(C)(=O)=O)cc2n2ccccc12
InChIInChI=1S/C20H23NO5S/c1-4-11-25-20(22)19-16-9-8-15(26-14(2)13-27(3,23)24)12-18(16)21-10-6-5-7-17(19)21/h5-10,12,14H,4,11,13H2,1-3H3
InChIKeyZTTSDWSGQPKEPB-UHFFFAOYSA-N
XLogP3.47
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56645067
propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666986
pentyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667599
methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666855
propyl 7-(5,5,5-trifluoro-4-oxopentan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667848
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
3-methoxypyrido[1,2-a]indole-10-carboxamide
CID 56645534
methyl 3-(1-cyanoethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667840
methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 56644027
propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 102335805
ethyl 3-[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate
CID 3717941
ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66666918

Frequently Asked Questions

What is the IUPAC name of propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate (CID 66666599) is propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate is CCCOC(=O)c1c2ccc(OC(C)CS(C)(=O)=O)cc2n2ccccc12.
What is the InChIKey of propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is ZTTSDWSGQPKEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-4-11-25-20(22)19-16-9-8-15(26-14(2)13-27(3,23)24)12-18(16)21-10-6-5-7-17(19)21/h5-10,12,14H,4,11,13H2,1-3H3.
What are the key properties of propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate?
propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 389.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66666599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).