1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol

C24H33N3O — CID 66875261

IUPAC1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1cnc2c(N)nc3cc(C)ccc3c2c1
InChIInChI=1S/C24H33N3O/c1-3-4-5-6-7-8-9-10-11-22(28)18-15-20-19-13-12-17(2)14-21(19)27-24(25)23(20)26-16-18/h12-16,22,28H,3-11H2,1-2H3,(H2,25,27)
InChIKeyTUFSUROUHQLBDD-UHFFFAOYSA-N
MW379.55 g/mol
LogP6.24
Rot. Bonds10

About 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol

1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol (PubChem CID 66875261) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol.

Molecular Properties

Compound Name1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol
PubChem CID66875261
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1cnc2c(N)nc3cc(C)ccc3c2c1
InChIInChI=1S/C24H33N3O/c1-3-4-5-6-7-8-9-10-11-22(28)18-15-20-19-13-12-17(2)14-21(19)27-24(25)23(20)26-16-18/h12-16,22,28H,3-11H2,1-2H3,(H2,25,27)
InChIKeyTUFSUROUHQLBDD-UHFFFAOYSA-N
XLogP6.24
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol?
The IUPAC name of 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol (CID 66875261) is 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol.
What is the SMILES notation for 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol?
The canonical SMILES for 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol is CCCCCCCCCCC(O)c1cnc2c(N)nc3cc(C)ccc3c2c1.
What is the InChIKey of 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol?
The InChIKey is TUFSUROUHQLBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-3-4-5-6-7-8-9-10-11-22(28)18-15-20-19-13-12-17(2)14-21(19)27-24(25)23(20)26-16-18/h12-16,22,28H,3-11H2,1-2H3,(H2,25,27).
What are the key properties of 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol?
1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol has a molecular weight of 379.55 g/mol, XLogP of 6.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol is sourced from PubChem (CID 66875261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).