ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate

C28H31N3O3 — CID 67127816

IUPACethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate
SMILESCCOC(=O)CCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(COC)cc3C)cc12
InChIInChI=1S/C28H31N3O3/c1-4-34-26(32)12-8-19-7-11-23-24-14-20(16-30-27(24)28(29)31-25(23)15-19)5-9-22-10-6-21(17-33-3)13-18(22)2/h6-7,10-11,13-16H,4-5,8-9,12,17H2,1-3H3,(H2,29,31)
InChIKeyWUFSKQUIBNJFCO-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.10
Rot. Bonds9

About ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate

ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate (PubChem CID 67127816) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate
PubChem CID67127816
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Nameethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate
SMILESCCOC(=O)CCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(COC)cc3C)cc12
InChIInChI=1S/C28H31N3O3/c1-4-34-26(32)12-8-19-7-11-23-24-14-20(16-30-27(24)28(29)31-25(23)15-19)5-9-22-10-6-21(17-33-3)13-18(22)2/h6-7,10-11,13-16H,4-5,8-9,12,17H2,1-3H3,(H2,29,31)
InChIKeyWUFSKQUIBNJFCO-UHFFFAOYSA-N
XLogP5.10
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

[4-[4-[2-[5-amino-8-(3-ethoxy-3-oxopropyl)benzo[f][1,7]naphthyridin-2-yl]ethyl]-3-methylphenoxy]-1,1-difluorobutyl]phosphonic acid
CID 67128028
2-[2-[4-[2-[5-amino-8-(2-carboxyethyl)benzo[f][1,7]naphthyridin-2-yl]ethyl]-3-methylphenoxy]ethoxy]ethyl-hydroxy-oxophosphanium
CID 126660183
4-[5-amino-2-[2-[4-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]butan-2-one
CID 58166519
[4-[4-[3-[5-amino-8-(3-ethoxy-3-oxopropyl)benzo[f][1,7]naphthyridin-2-yl]propyl]phenoxy]-1,1-difluorobutyl]phosphonic acid
CID 135378990
2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
CID 70904890
2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylanilino]acetic acid
CID 66889785
4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
CID 58213550
2-[2-[4-(6-diethoxyphosphorylhexoxy)-2-methylphenyl]ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
CID 86651458
4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-2-ethyl-3-methylbenzoic acid
CID 67212858
2-[2-[4-[2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethoxy]-2-methylphenyl]ethyl]-8-pentylbenzo[f][1,7]naphthyridin-5-amine
CID 123203776
5-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]pentyl-methylphosphinic acid
CID 121440387
4-[[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]methyl]-N-[3-[2-[2-[7-(2-ethoxyethoxy)-5-oxoheptoxy]ethoxy]ethoxy]propyl]benzamide
CID 58481155

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate?
The IUPAC name of ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate (CID 67127816) is ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate?
The canonical SMILES for ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate is CCOC(=O)CCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(COC)cc3C)cc12.
What is the InChIKey of ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate?
The InChIKey is WUFSKQUIBNJFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-4-34-26(32)12-8-19-7-11-23-24-14-20(16-30-27(24)28(29)31-25(23)15-19)5-9-22-10-6-21(17-33-3)13-18(22)2/h6-7,10-11,13-16H,4-5,8-9,12,17H2,1-3H3,(H2,29,31).
What are the key properties of ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate?
ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate has a molecular weight of 457.57 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-amino-2-[2-[4-(methoxymethyl)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoate is sourced from PubChem (CID 67127816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).