7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C27H19N5 — CID 11495297

IUPAC7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2-c1ccccc1
InChIInChI=1S/C27H19N5/c28-26-25-22(16-32(27(25)30-17-29-26)21-9-5-2-6-10-21)20-12-11-19-13-14-23(31-24(19)15-20)18-7-3-1-4-8-18/h1-17H,(H2,28,29,30)
InChIKeyZNNHVDFVYBCDIL-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.88
Rot. Bonds3

About 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 11495297) has the molecular formula C27H19N5 and a molecular weight of 413.48 g/mol. Its IUPAC name is 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID11495297
Molecular FormulaC27H19N5
Molecular Weight413.48 g/mol
Exact Mass413.16
IUPAC Name7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2-c1ccccc1
InChIInChI=1S/C27H19N5/c28-26-25-22(16-32(27(25)30-17-29-26)21-9-5-2-6-10-21)20-12-11-19-13-14-23(31-24(19)15-20)18-7-3-1-4-8-18/h1-17H,(H2,28,29,30)
InChIKeyZNNHVDFVYBCDIL-UHFFFAOYSA-N
XLogP5.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 11495297) is 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2-c1ccccc1.
What is the InChIKey of 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZNNHVDFVYBCDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5/c28-26-25-22(16-32(27(25)30-17-29-26)21-9-5-2-6-10-21)20-12-11-19-13-14-23(31-24(19)15-20)18-7-3-1-4-8-18/h1-17H,(H2,28,29,30).
What are the key properties of 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 413.48 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11495297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).