4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

C19H18N4O — CID 73336054

IUPAC4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESc1ccc(COc2cc(-c3cccnn3)c3c(n2)CCCC3)nc1
InChIInChI=1S/C19H18N4O/c1-2-8-17-15(7-1)16(18-9-5-11-21-23-18)12-19(22-17)24-13-14-6-3-4-10-20-14/h3-6,9-12H,1-2,7-8,13H2
InChIKeyPRFDUGYBNZDRSR-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.39
Rot. Bonds4

About 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 73336054) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID73336054
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESc1ccc(COc2cc(-c3cccnn3)c3c(n2)CCCC3)nc1
InChIInChI=1S/C19H18N4O/c1-2-8-17-15(7-1)16(18-9-5-11-21-23-18)12-19(22-17)24-13-14-6-3-4-10-20-14/h3-6,9-12H,1-2,7-8,13H2
InChIKeyPRFDUGYBNZDRSR-UHFFFAOYSA-N
XLogP3.39
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (CID 73336054) is 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is c1ccc(COc2cc(-c3cccnn3)c3c(n2)CCCC3)nc1.
What is the InChIKey of 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is PRFDUGYBNZDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-8-17-15(7-1)16(18-9-5-11-21-23-18)12-19(22-17)24-13-14-6-3-4-10-20-14/h3-6,9-12H,1-2,7-8,13H2.
What are the key properties of 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 318.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 73336054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).