Benzo[c][2,7]naphthyridine, 26

C25H20N4O2 — CID 44236923

IUPAC9-methoxy-8-phenylmethoxy-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine
SMILESCOC1=C(C=C2C(=C1)C3=CC(=NC(=C3C=N2)N)C4=CN=CC=C4)OCC5=CC=CC=C5
InChIInChI=1S/C25H20N4O2/c1-30-23-11-19-18-10-21(17-8-5-9-27-13-17)29-25(26)20(18)14-28-22(19)12-24(23)31-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H2,26,29)
InChIKeyYCCPGMJTPHAWRA-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.10
Rot. Bonds5

About Benzo[c][2,7]naphthyridine, 26

Benzo[c][2,7]naphthyridine, 26 (PubChem CID 44236923) has the molecular formula C25H20N4O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 9-methoxy-8-phenylmethoxy-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine.

Molecular Properties

Compound NameBenzo[c][2,7]naphthyridine, 26
PubChem CID44236923
Molecular FormulaC25H20N4O2
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name9-methoxy-8-phenylmethoxy-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine
SMILESCOC1=C(C=C2C(=C1)C3=CC(=NC(=C3C=N2)N)C4=CN=CC=C4)OCC5=CC=CC=C5
InChIInChI=1S/C25H20N4O2/c1-30-23-11-19-18-10-21(17-8-5-9-27-13-17)29-25(26)20(18)14-28-22(19)12-24(23)31-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H2,26,29)
InChIKeyYCCPGMJTPHAWRA-UHFFFAOYSA-N
XLogP4.10
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity572

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 Benzo[c][2,7]naphthyridine, 26?
The IUPAC name of Benzo[c][2,7]naphthyridine, 26 (CID 44236923) is 9-methoxy-8-phenylmethoxy-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine.
What is the SMILES notation for Benzo[c][2,7]naphthyridine, 26?
The canonical SMILES for Benzo[c][2,7]naphthyridine, 26 is COC1=C(C=C2C(=C1)C3=CC(=NC(=C3C=N2)N)C4=CN=CC=C4)OCC5=CC=CC=C5.
What is the InChIKey of Benzo[c][2,7]naphthyridine, 26?
The InChIKey is YCCPGMJTPHAWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-30-23-11-19-18-10-21(17-8-5-9-27-13-17)29-25(26)20(18)14-28-22(19)12-24(23)31-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H2,26,29).
What are the key properties of Benzo[c][2,7]naphthyridine, 26?
Benzo[c][2,7]naphthyridine, 26 has a molecular weight of 408.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Benzo[c][2,7]naphthyridine, 26 is sourced from PubChem (CID 44236923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).