2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline

C25H20N4O — CID 11668304

IUPAC2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
SMILESCn1ncc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H20N4O/c1-29-25(23(16-27-29)18-12-14-26-15-13-18)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)28-21/h2-16H,17H2,1H3
InChIKeyPRWFSBVVFNTTJQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.28
Rot. Bonds5

About 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline

2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline (PubChem CID 11668304) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
PubChem CID11668304
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
SMILESCn1ncc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H20N4O/c1-29-25(23(16-27-29)18-12-14-26-15-13-18)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)28-21/h2-16H,17H2,1H3
InChIKeyPRWFSBVVFNTTJQ-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
CID 11538425
2-[[4-(2-methyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11662225
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
1-pyridin-4-yl-9-(quinolin-2-ylmethoxy)-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepine
CID 23642214
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]ethyl methanesulfonate
CID 58544885
5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
CID 11603302
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,6-naphthyridine
CID 140627213
2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
CID 11646834
7-chloro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;hydron;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline;chloride
CID 69225611
ethyl 2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]acetate
CID 167444594

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline (CID 11668304) is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline is Cn1ncc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline?
The InChIKey is PRWFSBVVFNTTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-29-25(23(16-27-29)18-12-14-26-15-13-18)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)28-21/h2-16H,17H2,1H3.
What are the key properties of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline?
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline has a molecular weight of 392.46 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 11668304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).