1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol

C17H16N4O — CID 74243840

IUPAC1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(-c3cnc4ccccc4c3)n2)C1
InChIInChI=1S/C17H16N4O/c22-14-6-8-21(11-14)16-5-7-18-17(20-16)13-9-12-3-1-2-4-15(12)19-10-13/h1-5,7,9-10,14,22H,6,8,11H2
InChIKeyAZYYWPJTAITMOJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.26
Rot. Bonds2

About 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol

1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 74243840) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID74243840
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(-c3cnc4ccccc4c3)n2)C1
InChIInChI=1S/C17H16N4O/c22-14-6-8-21(11-14)16-5-7-18-17(20-16)13-9-12-3-1-2-4-15(12)19-10-13/h1-5,7,9-10,14,22H,6,8,11H2
InChIKeyAZYYWPJTAITMOJ-UHFFFAOYSA-N
XLogP2.26
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 74243840) is 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol is OC1CCN(c2ccnc(-c3cnc4ccccc4c3)n2)C1.
What is the InChIKey of 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is AZYYWPJTAITMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-14-6-8-21(11-14)16-5-7-18-17(20-16)13-9-12-3-1-2-4-15(12)19-10-13/h1-5,7,9-10,14,22H,6,8,11H2.
What are the key properties of 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol?
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 292.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 74243840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).