3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol

C20H16N4O — CID 69229080

IUPAC3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol
SMILESNc1cc(O)cc(Nc2ccnc3cc(-c4ccccn4)ccc23)c1
InChIInChI=1S/C20H16N4O/c21-14-10-15(12-16(25)11-14)24-19-6-8-23-20-9-13(4-5-17(19)20)18-3-1-2-7-22-18/h1-12,25H,21H2,(H,23,24)
InChIKeyYMTBUELFMFCOMN-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.33
Rot. Bonds3

About 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol

3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol (PubChem CID 69229080) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol
PubChem CID69229080
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol
SMILESNc1cc(O)cc(Nc2ccnc3cc(-c4ccccn4)ccc23)c1
InChIInChI=1S/C20H16N4O/c21-14-10-15(12-16(25)11-14)24-19-6-8-23-20-9-13(4-5-17(19)20)18-3-1-2-7-22-18/h1-12,25H,21H2,(H,23,24)
InChIKeyYMTBUELFMFCOMN-UHFFFAOYSA-N
XLogP4.33
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol?
The IUPAC name of 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol (CID 69229080) is 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol?
The canonical SMILES for 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol is Nc1cc(O)cc(Nc2ccnc3cc(-c4ccccn4)ccc23)c1.
What is the InChIKey of 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol?
The InChIKey is YMTBUELFMFCOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-14-10-15(12-16(25)11-14)24-19-6-8-23-20-9-13(4-5-17(19)20)18-3-1-2-7-22-18/h1-12,25H,21H2,(H,23,24).
What are the key properties of 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol?
3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol has a molecular weight of 328.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 69229080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).