[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

C23H17ClN4O — CID 67967067

IUPAC[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1Cl
InChIInChI=1S/C23H17ClN4O/c24-20-12-17(4-5-18(20)14-29)22-7-8-23-26-13-19(28(23)27-22)11-15-3-6-21-16(10-15)2-1-9-25-21/h1-10,12-13,29H,11,14H2
InChIKeyUALBLXBEGAMYGR-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.68
Rot. Bonds4

About [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 67967067) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID67967067
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1Cl
InChIInChI=1S/C23H17ClN4O/c24-20-12-17(4-5-18(20)14-29)22-7-8-23-26-13-19(28(23)27-22)11-15-3-6-21-16(10-15)2-1-9-25-21/h1-10,12-13,29H,11,14H2
InChIKeyUALBLXBEGAMYGR-UHFFFAOYSA-N
XLogP4.68
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 67967067) is [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is OCc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1Cl.
What is the InChIKey of [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is UALBLXBEGAMYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c24-20-12-17(4-5-18(20)14-29)22-7-8-23-26-13-19(28(23)27-22)11-15-3-6-21-16(10-15)2-1-9-25-21/h1-10,12-13,29H,11,14H2.
What are the key properties of [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 400.87 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 67967067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).