3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole

C18H18N2S — CID 10063060

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole
SMILESCN1CC=C(c2c[nH]c3ccc(-c4cccs4)cc23)CC1
InChIInChI=1S/C18H18N2S/c1-20-8-6-13(7-9-20)16-12-19-17-5-4-14(11-15(16)17)18-3-2-10-21-18/h2-6,10-12,19H,7-9H2,1H3
InChIKeyQNVFHQBBAWKLGI-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.62
Rot. Bonds2

About 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole

3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole (PubChem CID 10063060) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole
PubChem CID10063060
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole
SMILESCN1CC=C(c2c[nH]c3ccc(-c4cccs4)cc23)CC1
InChIInChI=1S/C18H18N2S/c1-20-8-6-13(7-9-20)16-12-19-17-5-4-14(11-15(16)17)18-3-2-10-21-18/h2-6,10-12,19H,7-9H2,1H3
InChIKeyQNVFHQBBAWKLGI-UHFFFAOYSA-N
XLogP4.62
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole (CID 10063060) is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole is CN1CC=C(c2c[nH]c3ccc(-c4cccs4)cc23)CC1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole?
The InChIKey is QNVFHQBBAWKLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-20-8-6-13(7-9-20)16-12-19-17-5-4-14(11-15(16)17)18-3-2-10-21-18/h2-6,10-12,19H,7-9H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole?
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole has a molecular weight of 294.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole is sourced from PubChem (CID 10063060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).