4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol

C21H19N3O — CID 58213550

IUPAC4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
SMILESCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(O)cc3)cc12
InChIInChI=1S/C21H19N3O/c1-13-2-9-17-18-11-15(4-3-14-5-7-16(25)8-6-14)12-23-20(18)21(22)24-19(17)10-13/h2,5-12,25H,3-4H2,1H3,(H2,22,24)
InChIKeySASDPMUSOAGFHV-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.16
Rot. Bonds3

About 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol

4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol (PubChem CID 58213550) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
PubChem CID58213550
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
SMILESCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(O)cc3)cc12
InChIInChI=1S/C21H19N3O/c1-13-2-9-17-18-11-15(4-3-14-5-7-16(25)8-6-14)12-23-20(18)21(22)24-19(17)10-13/h2,5-12,25H,3-4H2,1H3,(H2,22,24)
InChIKeySASDPMUSOAGFHV-UHFFFAOYSA-N
XLogP4.16
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.16
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 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol?
The IUPAC name of 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol (CID 58213550) is 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol is Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(O)cc3)cc12.
What is the InChIKey of 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol?
The InChIKey is SASDPMUSOAGFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-13-2-9-17-18-11-15(4-3-14-5-7-16(25)8-6-14)12-23-20(18)21(22)24-19(17)10-13/h2,5-12,25H,3-4H2,1H3,(H2,22,24).
What are the key properties of 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol?
4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol has a molecular weight of 329.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol is sourced from PubChem (CID 58213550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).