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

C22H19N3O — CID 4999481

IUPAC2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
InChIInChI=1S/C22H19N3O/c1-15-10-11-17-12-13-18(22(26)21(17)24-15)20(16-7-3-2-4-8-16)25-19-9-5-6-14-23-19/h2-14,20,26H,1H3,(H,23,25)
InChIKeyJXFRSLRXSBGCHN-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.85
Rot. Bonds4

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

2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 4999481) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID4999481
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
InChIInChI=1S/C22H19N3O/c1-15-10-11-17-12-13-18(22(26)21(17)24-15)20(16-7-3-2-4-8-16)25-19-9-5-6-14-23-19/h2-14,20,26H,1H3,(H,23,25)
InChIKeyJXFRSLRXSBGCHN-UHFFFAOYSA-N
XLogP4.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.85
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 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 4999481) is 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol is Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1.
What is the InChIKey of 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is JXFRSLRXSBGCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-10-11-17-12-13-18(22(26)21(17)24-15)20(16-7-3-2-4-8-16)25-19-9-5-6-14-23-19/h2-14,20,26H,1H3,(H,23,25).
What are the key properties of 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 341.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 4999481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).