8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline

C16H19N3O2 — CID 66332592

IUPAC8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCCCOc1cc(Oc2cccc3c2NCCC3)ncn1
InChIInChI=1S/C16H19N3O2/c1-2-9-20-14-10-15(19-11-18-14)21-13-7-3-5-12-6-4-8-17-16(12)13/h3,5,7,10-11,17H,2,4,6,8-9H2,1H3
InChIKeyVOSCQRSAPMSTKB-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.42
Rot. Bonds5

About 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline

8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 66332592) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID66332592
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCCCOc1cc(Oc2cccc3c2NCCC3)ncn1
InChIInChI=1S/C16H19N3O2/c1-2-9-20-14-10-15(19-11-18-14)21-13-7-3-5-12-6-4-8-17-16(12)13/h3,5,7,10-11,17H,2,4,6,8-9H2,1H3
InChIKeyVOSCQRSAPMSTKB-UHFFFAOYSA-N
XLogP3.42
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline (CID 66332592) is 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline is CCCOc1cc(Oc2cccc3c2NCCC3)ncn1.
What is the InChIKey of 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is VOSCQRSAPMSTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-9-20-14-10-15(19-11-18-14)21-13-7-3-5-12-6-4-8-17-16(12)13/h3,5,7,10-11,17H,2,4,6,8-9H2,1H3.
What are the key properties of 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline?
8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 66332592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).