4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C20H21N3O2 — CID 118589209

IUPAC4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1cc(-c2c(C#N)c(O[C@H]3CCOC3)nc3c2CCCC3)ccn1
InChIInChI=1S/C20H21N3O2/c1-13-10-14(6-8-22-13)19-16-4-2-3-5-18(16)23-20(17(19)11-21)25-15-7-9-24-12-15/h6,8,10,15H,2-5,7,9,12H2,1H3/t15-/m0/s1
InChIKeyRGXGGKJKWAJXJF-HNNXBMFYSA-N
MW335.41 g/mol
LogP3.37
Rot. Bonds3

About 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 118589209) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID118589209
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1cc(-c2c(C#N)c(O[C@H]3CCOC3)nc3c2CCCC3)ccn1
InChIInChI=1S/C20H21N3O2/c1-13-10-14(6-8-22-13)19-16-4-2-3-5-18(16)23-20(17(19)11-21)25-15-7-9-24-12-15/h6,8,10,15H,2-5,7,9,12H2,1H3/t15-/m0/s1
InChIKeyRGXGGKJKWAJXJF-HNNXBMFYSA-N
XLogP3.37
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 118589209) is 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1cc(-c2c(C#N)c(O[C@H]3CCOC3)nc3c2CCCC3)ccn1.
What is the InChIKey of 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is RGXGGKJKWAJXJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-10-14(6-8-22-13)19-16-4-2-3-5-18(16)23-20(17(19)11-21)25-15-7-9-24-12-15/h6,8,10,15H,2-5,7,9,12H2,1H3/t15-/m0/s1.
What are the key properties of 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 118589209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).