3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol

C25H23N5O2 — CID 71520675

IUPAC3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc3ncccc3c2)c1
InChIInChI=1S/C25H23N5O2/c31-20-5-1-3-18(16-20)23-21-8-10-30(19-6-7-22-17(15-19)4-2-9-26-22)24(21)28-25(27-23)29-11-13-32-14-12-29/h1-7,9,15-16,31H,8,10-14H2
InChIKeyBYOUGSUMLPLBKJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.93
Rot. Bonds3

About 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol

3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol (PubChem CID 71520675) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
PubChem CID71520675
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc3ncccc3c2)c1
InChIInChI=1S/C25H23N5O2/c31-20-5-1-3-18(16-20)23-21-8-10-30(19-6-7-22-17(15-19)4-2-9-26-22)24(21)28-25(27-23)29-11-13-32-14-12-29/h1-7,9,15-16,31H,8,10-14H2
InChIKeyBYOUGSUMLPLBKJ-UHFFFAOYSA-N
XLogP3.93
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol?
The IUPAC name of 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol (CID 71520675) is 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol?
The canonical SMILES for 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc3ncccc3c2)c1.
What is the InChIKey of 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol?
The InChIKey is BYOUGSUMLPLBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-20-5-1-3-18(16-20)23-21-8-10-30(19-6-7-22-17(15-19)4-2-9-26-22)24(21)28-25(27-23)29-11-13-32-14-12-29/h1-7,9,15-16,31H,8,10-14H2.
What are the key properties of 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol?
3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol has a molecular weight of 425.49 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-7-quinolin-6-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol is sourced from PubChem (CID 71520675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).