2-phenoxy-7-pyrazol-1-ylquinoline

C18H13N3O — CID 142776736

IUPAC2-phenoxy-7-pyrazol-1-ylquinoline
SMILESc1ccc(Oc2ccc3ccc(-n4cccn4)cc3n2)cc1
InChIInChI=1S/C18H13N3O/c1-2-5-16(6-3-1)22-18-10-8-14-7-9-15(13-17(14)20-18)21-12-4-11-19-21/h1-13H
InChIKeyHPAIWSHXHQLQQI-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.21
Rot. Bonds3

About 2-phenoxy-7-pyrazol-1-ylquinoline

2-phenoxy-7-pyrazol-1-ylquinoline (PubChem CID 142776736) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-phenoxy-7-pyrazol-1-ylquinoline.

Molecular Properties

Compound Name2-phenoxy-7-pyrazol-1-ylquinoline
PubChem CID142776736
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-phenoxy-7-pyrazol-1-ylquinoline
SMILESc1ccc(Oc2ccc3ccc(-n4cccn4)cc3n2)cc1
InChIInChI=1S/C18H13N3O/c1-2-5-16(6-3-1)22-18-10-8-14-7-9-15(13-17(14)20-18)21-12-4-11-19-21/h1-13H
InChIKeyHPAIWSHXHQLQQI-UHFFFAOYSA-N
XLogP4.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
CID 154748939
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364
2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine
CID 138038750
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid
CID 121473603
4-(4-pyrazol-1-ylphenoxy)quinazoline
CID 138038739
7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136641811
2-(4-iodophenoxy)quinoline
CID 60645353
methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate
CID 47079750
(3-pyrazol-1-ylphenyl) acetate
CID 67940109
phosphane;2-quinolin-2-yloxyquinoline
CID 166708861
6-pyrazol-1-yl-1,3-benzothiazol-2-amine
CID 82393654

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-7-pyrazol-1-ylquinoline?
The IUPAC name of 2-phenoxy-7-pyrazol-1-ylquinoline (CID 142776736) is 2-phenoxy-7-pyrazol-1-ylquinoline.
What is the SMILES notation for 2-phenoxy-7-pyrazol-1-ylquinoline?
The canonical SMILES for 2-phenoxy-7-pyrazol-1-ylquinoline is c1ccc(Oc2ccc3ccc(-n4cccn4)cc3n2)cc1.
What is the InChIKey of 2-phenoxy-7-pyrazol-1-ylquinoline?
The InChIKey is HPAIWSHXHQLQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-2-5-16(6-3-1)22-18-10-8-14-7-9-15(13-17(14)20-18)21-12-4-11-19-21/h1-13H.
What are the key properties of 2-phenoxy-7-pyrazol-1-ylquinoline?
2-phenoxy-7-pyrazol-1-ylquinoline has a molecular weight of 287.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-7-pyrazol-1-ylquinoline is sourced from PubChem (CID 142776736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).