4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline

C26H22N4O2 — CID 78319287

IUPAC4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(O[11CH3])c4ccccc4n3)cc2)n1
InChIInChI=1S/C26H22N4O2/c1-30-16-23(18-11-13-27-14-12-18)26(29-30)19-7-9-21(10-8-19)32-17-20-15-25(31-2)22-5-3-4-6-24(22)28-20/h3-16H,17H2,1-2H3/i2-1
InChIKeyBAKYRZWLXMZDHC-JVVVGQRLSA-N
MW421.49 g/mol
LogP5.28
Rot. Bonds6

About 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline

4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline (PubChem CID 78319287) has the molecular formula C26H22N4O2 and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
PubChem CID78319287
Molecular FormulaC26H22N4O2
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(O[11CH3])c4ccccc4n3)cc2)n1
InChIInChI=1S/C26H22N4O2/c1-30-16-23(18-11-13-27-14-12-18)26(29-30)19-7-9-21(10-8-19)32-17-20-15-25(31-2)22-5-3-4-6-24(22)28-20/h3-16H,17H2,1-2H3/i2-1
InChIKeyBAKYRZWLXMZDHC-JVVVGQRLSA-N
XLogP5.28
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The IUPAC name of 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline (CID 78319287) is 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(O[11CH3])c4ccccc4n3)cc2)n1.
What is the InChIKey of 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The InChIKey is BAKYRZWLXMZDHC-JVVVGQRLSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-30-16-23(18-11-13-27-14-12-18)26(29-30)19-7-9-21(10-8-19)32-17-20-15-25(31-2)22-5-3-4-6-24(22)28-20/h3-16H,17H2,1-2H3/i2-1.
What are the key properties of 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline has a molecular weight of 421.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 78319287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).