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

C20H15N3O — CID 44532315

IUPAC3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol
SMILESOc1cccc(Nc2ccnc3cc(-c4ccncc4)ccc23)c1
InChIInChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23)
InChIKeyVBAYIVBRKSERFP-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.75
Rot. Bonds3

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

3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol (PubChem CID 44532315) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol
PubChem CID44532315
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol
SMILESOc1cccc(Nc2ccnc3cc(-c4ccncc4)ccc23)c1
InChIInChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23)
InChIKeyVBAYIVBRKSERFP-UHFFFAOYSA-N
XLogP4.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol?
The IUPAC name of 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol (CID 44532315) is 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol?
The canonical SMILES for 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol is Oc1cccc(Nc2ccnc3cc(-c4ccncc4)ccc23)c1.
What is the InChIKey of 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol?
The InChIKey is VBAYIVBRKSERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23).
What are the key properties of 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol?
3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol has a molecular weight of 313.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 44532315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).