3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol

C25H21N5O — CID 66675899

IUPAC3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol
SMILESNc1ncnc2c(C3CC(O)C3)cn(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C25H21N5O/c26-25-24-23(27-14-28-25)20(17-10-19(31)11-17)13-30(24)18-8-6-16-7-9-21(29-22(16)12-18)15-4-2-1-3-5-15/h1-9,12-14,17,19,31H,10-11H2,(H2,26,27,28)
InChIKeyKFISATBVVDTEOP-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.46
Rot. Bonds3

About 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol

3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol (PubChem CID 66675899) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol
PubChem CID66675899
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol
SMILESNc1ncnc2c(C3CC(O)C3)cn(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C25H21N5O/c26-25-24-23(27-14-28-25)20(17-10-19(31)11-17)13-30(24)18-8-6-16-7-9-21(29-22(16)12-18)15-4-2-1-3-5-15/h1-9,12-14,17,19,31H,10-11H2,(H2,26,27,28)
InChIKeyKFISATBVVDTEOP-UHFFFAOYSA-N
XLogP4.46
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol?
The IUPAC name of 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol (CID 66675899) is 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol is Nc1ncnc2c(C3CC(O)C3)cn(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol?
The InChIKey is KFISATBVVDTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c26-25-24-23(27-14-28-25)20(17-10-19(31)11-17)13-30(24)18-8-6-16-7-9-21(29-22(16)12-18)15-4-2-1-3-5-15/h1-9,12-14,17,19,31H,10-11H2,(H2,26,27,28).
What are the key properties of 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol?
3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol has a molecular weight of 407.48 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol is sourced from PubChem (CID 66675899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).