2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol

C25H26N4O2 — CID 129244856

IUPAC2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol
SMILESCOc1c(CNCCO)cnc2c(Nc3cccc(-c4ccccc4)c3C)nccc12
InChIInChI=1S/C25H26N4O2/c1-17-20(18-7-4-3-5-8-18)9-6-10-22(17)29-25-23-21(11-12-27-25)24(31-2)19(16-28-23)15-26-13-14-30/h3-12,16,26,30H,13-15H2,1-2H3,(H,27,29)
InChIKeyOGQKKMFECOENRK-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.44
Rot. Bonds8

About 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol

2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol (PubChem CID 129244856) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol
PubChem CID129244856
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol
SMILESCOc1c(CNCCO)cnc2c(Nc3cccc(-c4ccccc4)c3C)nccc12
InChIInChI=1S/C25H26N4O2/c1-17-20(18-7-4-3-5-8-18)9-6-10-22(17)29-25-23-21(11-12-27-25)24(31-2)19(16-28-23)15-26-13-14-30/h3-12,16,26,30H,13-15H2,1-2H3,(H,27,29)
InChIKeyOGQKKMFECOENRK-UHFFFAOYSA-N
XLogP4.44
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol (CID 129244856) is 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol is COc1c(CNCCO)cnc2c(Nc3cccc(-c4ccccc4)c3C)nccc12.
What is the InChIKey of 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol?
The InChIKey is OGQKKMFECOENRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17-20(18-7-4-3-5-8-18)9-6-10-22(17)29-25-23-21(11-12-27-25)24(31-2)19(16-28-23)15-26-13-14-30/h3-12,16,26,30H,13-15H2,1-2H3,(H,27,29).
What are the key properties of 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol?
2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol has a molecular weight of 414.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-8-(2-methyl-3-phenylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol is sourced from PubChem (CID 129244856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).