1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol

C23H27N5O2 — CID 58547857

IUPAC1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccnnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H27N5O2/c1-16(29)17-9-12-27(13-10-17)21-8-11-24-26-23(21)30-19-14-28(15-19)22-7-6-18-4-2-3-5-20(18)25-22/h2-8,11,16-17,19,29H,9-10,12-15H2,1H3
InChIKeyGYYVYUUOYVYQDC-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.89
Rot. Bonds5

About 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol

1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol (PubChem CID 58547857) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol
PubChem CID58547857
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccnnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H27N5O2/c1-16(29)17-9-12-27(13-10-17)21-8-11-24-26-23(21)30-19-14-28(15-19)22-7-6-18-4-2-3-5-20(18)25-22/h2-8,11,16-17,19,29H,9-10,12-15H2,1H3
InChIKeyGYYVYUUOYVYQDC-UHFFFAOYSA-N
XLogP2.89
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol (CID 58547857) is 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2ccnnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol?
The InChIKey is GYYVYUUOYVYQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16(29)17-9-12-27(13-10-17)21-8-11-24-26-23(21)30-19-14-28(15-19)22-7-6-18-4-2-3-5-20(18)25-22/h2-8,11,16-17,19,29H,9-10,12-15H2,1H3.
What are the key properties of 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol?
1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol has a molecular weight of 405.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 58547857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).