7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C22H19N3O2 — CID 2895355

IUPAC7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCOc1cccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-8-4-6-16(14-17)20(25-19-9-2-3-12-23-19)18-11-10-15-7-5-13-24-21(15)22(18)26/h2-14,20,26H,1H3,(H,23,25)
InChIKeyLRIKTDRCLNJXMA-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.55
Rot. Bonds5

About 7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2895355) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2895355
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCOc1cccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-8-4-6-16(14-17)20(25-19-9-2-3-12-23-19)18-11-10-15-7-5-13-24-21(15)22(18)26/h2-14,20,26H,1H3,(H,23,25)
InChIKeyLRIKTDRCLNJXMA-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-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2895355) is 7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is COc1cccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is LRIKTDRCLNJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-17-8-4-6-16(14-17)20(25-19-9-2-3-12-23-19)18-11-10-15-7-5-13-24-21(15)22(18)26/h2-14,20,26H,1H3,(H,23,25).
What are the key properties of 7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]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-[(3-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2895355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).