2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline

C25H20N4O — CID 69030247

IUPAC2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline
SMILESCc1cc(-n2ccc(-c3ccc(OCc4ccc5ccccc5n4)cc3)n2)ccn1
InChIInChI=1S/C25H20N4O/c1-18-16-22(12-14-26-18)29-15-13-25(28-29)20-7-10-23(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
InChIKeyRFDKOACOGPCEIX-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.37
Rot. Bonds5

About 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline

2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline (PubChem CID 69030247) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline
PubChem CID69030247
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline
SMILESCc1cc(-n2ccc(-c3ccc(OCc4ccc5ccccc5n4)cc3)n2)ccn1
InChIInChI=1S/C25H20N4O/c1-18-16-22(12-14-26-18)29-15-13-25(28-29)20-7-10-23(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
InChIKeyRFDKOACOGPCEIX-UHFFFAOYSA-N
XLogP5.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-phenyl-1,2,4-triazol-3-yl)phenoxy]methyl]quinoline
CID 24830505
2-[[4-(2-methyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11662225
2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
CID 11646834
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline
CID 142083930
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
CID 11538425
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline (CID 69030247) is 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline is Cc1cc(-n2ccc(-c3ccc(OCc4ccc5ccccc5n4)cc3)n2)ccn1.
What is the InChIKey of 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline?
The InChIKey is RFDKOACOGPCEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-18-16-22(12-14-26-18)29-15-13-25(28-29)20-7-10-23(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3.
What are the key properties of 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline?
2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline has a molecular weight of 392.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 69030247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).