7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol

C21H16FN3O — CID 3561203

IUPAC7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccc(F)cc2)c2ccncc2)ccc2cccnc12
InChIInChI=1S/C21H16FN3O/c22-16-4-6-17(7-5-16)25-19(15-9-12-23-13-10-15)18-8-3-14-2-1-11-24-20(14)21(18)26/h1-13,19,25-26H
InChIKeyDTMQMKIJNNLQNC-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.68
Rot. Bonds4

About 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol

7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol (PubChem CID 3561203) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol
PubChem CID3561203
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccc(F)cc2)c2ccncc2)ccc2cccnc12
InChIInChI=1S/C21H16FN3O/c22-16-4-6-17(7-5-16)25-19(15-9-12-23-13-10-15)18-8-3-14-2-1-11-24-20(14)21(18)26/h1-13,19,25-26H
InChIKeyDTMQMKIJNNLQNC-UHFFFAOYSA-N
XLogP4.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol (CID 3561203) is 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol is Oc1c(C(Nc2ccc(F)cc2)c2ccncc2)ccc2cccnc12.
What is the InChIKey of 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The InChIKey is DTMQMKIJNNLQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-16-4-6-17(7-5-16)25-19(15-9-12-23-13-10-15)18-8-3-14-2-1-11-24-20(14)21(18)26/h1-13,19,25-26H.
What are the key properties of 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol has a molecular weight of 345.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluoroanilino)-pyridin-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 3561203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).