2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline

C41H26N4 — CID 129040191

IUPAC2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline
SMILESc1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2cc3ccc4ccccc4n3n2)c1
InChIInChI=1S/C41H26N4/c1-3-11-30-22-34(18-16-27(30)8-1)38-26-37(42-41(43-38)35-19-17-28-9-2-4-12-31(28)23-35)32-13-7-14-33(24-32)39-25-36-21-20-29-10-5-6-15-40(29)45(36)44-39/h1-26H
InChIKeyMZUWJLKLJHLVEM-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.25
Rot. Bonds4

About 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline

2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline (PubChem CID 129040191) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline
PubChem CID129040191
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline
SMILESc1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2cc3ccc4ccccc4n3n2)c1
InChIInChI=1S/C41H26N4/c1-3-11-30-22-34(18-16-27(30)8-1)38-26-37(42-41(43-38)35-19-17-28-9-2-4-12-31(28)23-35)32-13-7-14-33(24-32)39-25-36-21-20-29-10-5-6-15-40(29)45(36)44-39/h1-26H
InChIKeyMZUWJLKLJHLVEM-UHFFFAOYSA-N
XLogP10.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline?
The IUPAC name of 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline (CID 129040191) is 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline is c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2cc3ccc4ccccc4n3n2)c1.
What is the InChIKey of 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline?
The InChIKey is MZUWJLKLJHLVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-3-11-30-22-34(18-16-27(30)8-1)38-26-37(42-41(43-38)35-19-17-28-9-2-4-12-31(28)23-35)32-13-7-14-33(24-32)39-25-36-21-20-29-10-5-6-15-40(29)45(36)44-39/h1-26H.
What are the key properties of 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline?
2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline has a molecular weight of 574.69 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 129040191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).