8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline

C14H15N3O — CID 62770238

IUPAC8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCc1nccc(Oc2cccc3c2NCCC3)n1
InChIInChI=1S/C14H15N3O/c1-10-15-9-7-13(17-10)18-12-6-2-4-11-5-3-8-16-14(11)12/h2,4,6-7,9,16H,3,5,8H2,1H3
InChIKeyHUBXZVVCGBKZAH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.94
Rot. Bonds2

About 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline

8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 62770238) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID62770238
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCc1nccc(Oc2cccc3c2NCCC3)n1
InChIInChI=1S/C14H15N3O/c1-10-15-9-7-13(17-10)18-12-6-2-4-11-5-3-8-16-14(11)12/h2,4,6-7,9,16H,3,5,8H2,1H3
InChIKeyHUBXZVVCGBKZAH-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline (CID 62770238) is 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline is Cc1nccc(Oc2cccc3c2NCCC3)n1.
What is the InChIKey of 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is HUBXZVVCGBKZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-15-9-7-13(17-10)18-12-6-2-4-11-5-3-8-16-14(11)12/h2,4,6-7,9,16H,3,5,8H2,1H3.
What are the key properties of 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline?
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62770238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).