5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline

C15H17N3O2 — CID 166317588

IUPAC5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Oc2cccc3c2CCC(C)N3)ncn1
InChIInChI=1S/C15H17N3O2/c1-10-6-7-11-12(18-10)4-3-5-13(11)20-15-8-14(19-2)16-9-17-15/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyRLWONOPDKLFYQK-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.02
Rot. Bonds3

About 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline

5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 166317588) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID166317588
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Oc2cccc3c2CCC(C)N3)ncn1
InChIInChI=1S/C15H17N3O2/c1-10-6-7-11-12(18-10)4-3-5-13(11)20-15-8-14(19-2)16-9-17-15/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyRLWONOPDKLFYQK-UHFFFAOYSA-N
XLogP3.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline (CID 166317588) is 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline is COc1cc(Oc2cccc3c2CCC(C)N3)ncn1.
What is the InChIKey of 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is RLWONOPDKLFYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-7-11-12(18-10)4-3-5-13(11)20-15-8-14(19-2)16-9-17-15/h3-5,8-10,18H,6-7H2,1-2H3.
What are the key properties of 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline?
5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 271.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyrimidin-4-yl)oxy-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 166317588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).