3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol

C20H17N3O — CID 58213785

IUPAC3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
SMILESNc1nc2ccccc2c2cc(CCc3cccc(O)c3)cnc12
InChIInChI=1S/C20H17N3O/c21-20-19-17(16-6-1-2-7-18(16)23-20)11-14(12-22-19)9-8-13-4-3-5-15(24)10-13/h1-7,10-12,24H,8-9H2,(H2,21,23)
InChIKeySEVDRVSJVKPASD-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.86
Rot. Bonds3

About 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol

3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol (PubChem CID 58213785) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
PubChem CID58213785
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
SMILESNc1nc2ccccc2c2cc(CCc3cccc(O)c3)cnc12
InChIInChI=1S/C20H17N3O/c21-20-19-17(16-6-1-2-7-18(16)23-20)11-14(12-22-19)9-8-13-4-3-5-15(24)10-13/h1-7,10-12,24H,8-9H2,(H2,21,23)
InChIKeySEVDRVSJVKPASD-UHFFFAOYSA-N
XLogP3.86
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol?
The IUPAC name of 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol (CID 58213785) is 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol?
The canonical SMILES for 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol is Nc1nc2ccccc2c2cc(CCc3cccc(O)c3)cnc12.
What is the InChIKey of 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol?
The InChIKey is SEVDRVSJVKPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-20-19-17(16-6-1-2-7-18(16)23-20)11-14(12-22-19)9-8-13-4-3-5-15(24)10-13/h1-7,10-12,24H,8-9H2,(H2,21,23).
What are the key properties of 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol?
3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol has a molecular weight of 315.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol is sourced from PubChem (CID 58213785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).