5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline

C16H14FN3O — CID 155915889

IUPAC5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline
SMILESCC(C)Oc1ccc(-c2cnc3cccc(F)c3c2)nn1
InChIInChI=1S/C16H14FN3O/c1-10(2)21-16-7-6-14(19-20-16)11-8-12-13(17)4-3-5-15(12)18-9-11/h3-10H,1-2H3
InChIKeyPDMLNTSXSPKVIC-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.62
Rot. Bonds3

About 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline

5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline (PubChem CID 155915889) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline.

Molecular Properties

Compound Name5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline
PubChem CID155915889
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline
SMILESCC(C)Oc1ccc(-c2cnc3cccc(F)c3c2)nn1
InChIInChI=1S/C16H14FN3O/c1-10(2)21-16-7-6-14(19-20-16)11-8-12-13(17)4-3-5-15(12)18-9-11/h3-10H,1-2H3
InChIKeyPDMLNTSXSPKVIC-UHFFFAOYSA-N
XLogP3.62
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxypyridazin-3-yl)quinoline
CID 72888998
N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide
CID 155909866
ethane;5-fluoro-3-methylquinoline
CID 156751037
4-(5-fluoroquinolin-3-yl)-1,2-thiazole
CID 155918736
3-(2,5-dimethyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
CID 155911122
N-ethyl-2-(5-fluoroquinolin-3-yl)benzamide
CID 155510016
2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol
CID 155917158
5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline
CID 155492812
2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide
CID 74232262
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide
CID 7593632
5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 144928915
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline?
The IUPAC name of 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline (CID 155915889) is 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline.
What is the SMILES notation for 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline?
The canonical SMILES for 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline is CC(C)Oc1ccc(-c2cnc3cccc(F)c3c2)nn1.
What is the InChIKey of 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline?
The InChIKey is PDMLNTSXSPKVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10(2)21-16-7-6-14(19-20-16)11-8-12-13(17)4-3-5-15(12)18-9-11/h3-10H,1-2H3.
What are the key properties of 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline?
5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline has a molecular weight of 283.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline is sourced from PubChem (CID 155915889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).