5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile

C20H17N5O — CID 118205414

IUPAC5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ncncc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C20H17N5O/c21-10-19-17(11-22-13-24-19)16-9-20(25-18-7-2-1-6-15(16)18)26-12-14-5-3-4-8-23-14/h3-5,8-9,11,13H,1-2,6-7,12H2
InChIKeyOVIFTEGXSLZWMI-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.26
Rot. Bonds4

About 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile

5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile (PubChem CID 118205414) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile
PubChem CID118205414
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ncncc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C20H17N5O/c21-10-19-17(11-22-13-24-19)16-9-20(25-18-7-2-1-6-15(16)18)26-12-14-5-3-4-8-23-14/h3-5,8-9,11,13H,1-2,6-7,12H2
InChIKeyOVIFTEGXSLZWMI-UHFFFAOYSA-N
XLogP3.26
TPSA84.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile (CID 118205414) is 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile is N#Cc1ncncc1-c1cc(OCc2ccccn2)nc2c1CCCC2.
What is the InChIKey of 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile?
The InChIKey is OVIFTEGXSLZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-10-19-17(11-22-13-24-19)16-9-20(25-18-7-2-1-6-15(16)18)26-12-14-5-3-4-8-23-14/h3-5,8-9,11,13H,1-2,6-7,12H2.
What are the key properties of 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile?
5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 118205414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).