7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol

C22H19N3O2 — CID 4128964

IUPAC7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCOc1ccccc1NC(c1cccnc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H19N3O2/c1-27-19-9-3-2-8-18(19)25-20(16-7-4-12-23-14-16)17-11-10-15-6-5-13-24-21(15)22(17)26/h2-14,20,25-26H,1H3
InChIKeyRTAVGXLOBDXKDJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.55
Rot. Bonds5

About 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol

7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 4128964) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID4128964
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCOc1ccccc1NC(c1cccnc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H19N3O2/c1-27-19-9-3-2-8-18(19)25-20(16-7-4-12-23-14-16)17-11-10-15-6-5-13-24-21(15)22(17)26/h2-14,20,25-26H,1H3
InChIKeyRTAVGXLOBDXKDJ-UHFFFAOYSA-N
XLogP4.55
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.55
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-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol (CID 4128964) is 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol is COc1ccccc1NC(c1cccnc1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is RTAVGXLOBDXKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-19-9-3-2-8-18(19)25-20(16-7-4-12-23-14-16)17-11-10-15-6-5-13-24-21(15)22(17)26/h2-14,20,25-26H,1H3.
What are the key properties of 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol has a molecular weight of 357.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 4128964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).