2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline

C25H20N4O — CID 11646834

IUPAC2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
SMILESCc1[nH]nc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccncc1
InChIInChI=1S/C25H20N4O/c1-17-24(19-12-14-26-15-13-19)25(29-28-17)20-7-10-22(11-8-20)30-16-21-9-6-18-4-2-3-5-23(18)27-21/h2-15H,16H2,1H3,(H,28,29)
InChIKeyITJWXVOIUJXZHN-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.57
Rot. Bonds5

About 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline

2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline (PubChem CID 11646834) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
PubChem CID11646834
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
SMILESCc1[nH]nc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccncc1
InChIInChI=1S/C25H20N4O/c1-17-24(19-12-14-26-15-13-19)25(29-28-17)20-7-10-22(11-8-20)30-16-21-9-6-18-4-2-3-5-23(18)27-21/h2-15H,16H2,1H3,(H,28,29)
InChIKeyITJWXVOIUJXZHN-UHFFFAOYSA-N
XLogP5.57
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
CID 11538425
5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
CID 11603302
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline
CID 176514693
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
4-pyridin-4-yl-7-(quinolin-2-ylmethoxy)quinazoline
CID 24944868
2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]ethyl methanesulfonate
CID 58544885
ethyl 2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]acetate
CID 167444594
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
2-[[4-(2-methyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11662225
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline (CID 11646834) is 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline is Cc1[nH]nc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline?
The InChIKey is ITJWXVOIUJXZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-24(19-12-14-26-15-13-19)25(29-28-17)20-7-10-22(11-8-20)30-16-21-9-6-18-4-2-3-5-23(18)27-21/h2-15H,16H2,1H3,(H,28,29).
What are the key properties of 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline?
2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline has a molecular weight of 392.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 11646834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).