ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate

C23H24N2O2 — CID 66863463

IUPACethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(C3=CCN(Cc4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C23H24N2O2/c1-2-27-23(26)19-8-9-20-21(15-24-22(20)14-19)18-10-12-25(13-11-18)16-17-6-4-3-5-7-17/h3-10,14-15,24H,2,11-13,16H2,1H3
InChIKeyKQXSIEOLHVEXRE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.63
Rot. Bonds5

About ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate

ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate (PubChem CID 66863463) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
PubChem CID66863463
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Nameethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(C3=CCN(Cc4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C23H24N2O2/c1-2-27-23(26)19-8-9-20-21(15-24-22(20)14-19)18-10-12-25(13-11-18)16-17-6-4-3-5-7-17/h3-10,14-15,24H,2,11-13,16H2,1H3
InChIKeyKQXSIEOLHVEXRE-UHFFFAOYSA-N
XLogP4.63
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248
methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 112841616
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-amine
CID 116997235
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
5-chloro-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
CID 39975216
N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
CID 67923514
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-phenylbutan-1-one
CID 60516306

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate?
The IUPAC name of ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate (CID 66863463) is ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate.
What is the SMILES notation for ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate?
The canonical SMILES for ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate is CCOC(=O)c1ccc2c(C3=CCN(Cc4ccccc4)CC3)c[nH]c2c1.
What is the InChIKey of ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate?
The InChIKey is KQXSIEOLHVEXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-2-27-23(26)19-8-9-20-21(15-24-22(20)14-19)18-10-12-25(13-11-18)16-17-6-4-3-5-7-17/h3-10,14-15,24H,2,11-13,16H2,1H3.
What are the key properties of ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate?
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate is sourced from PubChem (CID 66863463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).