7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol

C20H15FN4O — CID 3682050

IUPAC7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc12
InChIInChI=1S/C20H15FN4O/c21-15-7-4-14(5-8-15)17(25-20-23-11-2-12-24-20)16-9-6-13-3-1-10-22-18(13)19(16)26/h1-12,17,26H,(H,23,24,25)
InChIKeyLYEBONJOTDUHOF-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.07
Rot. Bonds4

About 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol

7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 3682050) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
PubChem CID3682050
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc12
InChIInChI=1S/C20H15FN4O/c21-15-7-4-14(5-8-15)17(25-20-23-11-2-12-24-20)16-9-6-13-3-1-10-22-18(13)19(16)26/h1-12,17,26H,(H,23,24,25)
InChIKeyLYEBONJOTDUHOF-UHFFFAOYSA-N
XLogP4.07
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol (CID 3682050) is 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc12.
What is the InChIKey of 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is LYEBONJOTDUHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-15-7-4-14(5-8-15)17(25-20-23-11-2-12-24-20)16-9-6-13-3-1-10-22-18(13)19(16)26/h1-12,17,26H,(H,23,24,25).
What are the key properties of 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol?
7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 346.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 3682050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).