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

C19H20N2OS — CID 151634144

IUPAC1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole
SMILESCOn1cc(C2=CCN(C)CC2)c2cc(-c3cccs3)ccc21
InChIInChI=1S/C19H20N2OS/c1-20-9-7-14(8-10-20)17-13-21(22-2)18-6-5-15(12-16(17)18)19-4-3-11-23-19/h3-7,11-13H,8-10H2,1-2H3
InChIKeyQRDLVQIYLXXACL-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.15
Rot. Bonds3

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

1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole (PubChem CID 151634144) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole.

Molecular Properties

Compound Name1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole
PubChem CID151634144
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole
SMILESCOn1cc(C2=CCN(C)CC2)c2cc(-c3cccs3)ccc21
InChIInChI=1S/C19H20N2OS/c1-20-9-7-14(8-10-20)17-13-21(22-2)18-6-5-15(12-16(17)18)19-4-3-11-23-19/h3-7,11-13H,8-10H2,1-2H3
InChIKeyQRDLVQIYLXXACL-UHFFFAOYSA-N
XLogP4.15
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone
CID 67856734
4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
CID 24743491
[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone
CID 19753547
9-methyl-2,7-dithiophen-2-ylcarbazole
CID 102153776
5-(2,5-dimethylpyrrol-1-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-sulfanylindole
CID 70880564
N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine
CID 89109951
1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 24743637
5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 15648963
3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole
CID 2322112
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743560
6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole
CID 24743700
1-(4-chlorophenyl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;hydrochloride
CID 23288080

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole?
The IUPAC name of 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole (CID 151634144) is 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole.
What is the SMILES notation for 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole?
The canonical SMILES for 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole is COn1cc(C2=CCN(C)CC2)c2cc(-c3cccs3)ccc21.
What is the InChIKey of 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole?
The InChIKey is QRDLVQIYLXXACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-20-9-7-14(8-10-20)17-13-21(22-2)18-6-5-15(12-16(17)18)19-4-3-11-23-19/h3-7,11-13H,8-10H2,1-2H3.
What are the key properties of 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole?
1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole has a molecular weight of 324.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole is sourced from PubChem (CID 151634144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).