2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile

C14H12N4O — CID 107552899

IUPAC2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc3c2NCCC3)n1
InChIInChI=1S/C14H12N4O/c15-9-11-6-8-17-14(18-11)19-12-5-1-3-10-4-2-7-16-13(10)12/h1,3,5-6,8,16H,2,4,7H2
InChIKeyKZVFCHPGNAFEJT-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.50
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile

2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile (PubChem CID 107552899) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile
PubChem CID107552899
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc3c2NCCC3)n1
InChIInChI=1S/C14H12N4O/c15-9-11-6-8-17-14(18-11)19-12-5-1-3-10-4-2-7-16-13(10)12/h1,3,5-6,8,16H,2,4,7H2
InChIKeyKZVFCHPGNAFEJT-UHFFFAOYSA-N
XLogP2.50
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline
CID 114789583
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 61026238
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 62770238
2-naphthalen-1-yloxypyrimidine-4-carbonitrile
CID 107545702
3,5-difluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 81285817
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline
CID 105363136
8-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
8-[(6-ethoxy-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 63589905
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
8-[(5-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 54907879

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile (CID 107552899) is 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile is N#Cc1ccnc(Oc2cccc3c2NCCC3)n1.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile?
The InChIKey is KZVFCHPGNAFEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-9-11-6-8-17-14(18-11)19-12-5-1-3-10-4-2-7-16-13(10)12/h1,3,5-6,8,16H,2,4,7H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile?
2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).