7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol

C25H19N3O — CID 3056878

IUPAC7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2cnc3ccccc3c2)c2ccccc2)ccc2cccnc12
InChIInChI=1S/C25H19N3O/c29-25-21(13-12-18-10-6-14-26-24(18)25)23(17-7-2-1-3-8-17)28-20-15-19-9-4-5-11-22(19)27-16-20/h1-16,23,28-29H
InChIKeyKPUPMWNNLGZCBP-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.69
Rot. Bonds4

About 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol

7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol (PubChem CID 3056878) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol
PubChem CID3056878
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2cnc3ccccc3c2)c2ccccc2)ccc2cccnc12
InChIInChI=1S/C25H19N3O/c29-25-21(13-12-18-10-6-14-26-24(18)25)23(17-7-2-1-3-8-17)28-20-15-19-9-4-5-11-22(19)27-16-20/h1-16,23,28-29H
InChIKeyKPUPMWNNLGZCBP-UHFFFAOYSA-N
XLogP5.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol (CID 3056878) is 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2cnc3ccccc3c2)c2ccccc2)ccc2cccnc12.
What is the InChIKey of 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol?
The InChIKey is KPUPMWNNLGZCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c29-25-21(13-12-18-10-6-14-26-24(18)25)23(17-7-2-1-3-8-17)28-20-15-19-9-4-5-11-22(19)27-16-20/h1-16,23,28-29H.
What are the key properties of 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol?
7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol has a molecular weight of 377.45 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[phenyl-(quinolin-3-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 3056878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).