methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate

C24H24N4O2 — CID 171066233

IUPACmethyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(NCCc1cccc(CCN)c1)c1ccncc12
InChIInChI=1S/C24H24N4O2/c1-30-24(29)18-5-6-19-21-15-26-11-9-20(21)23(28-22(19)14-18)27-12-8-17-4-2-3-16(13-17)7-10-25/h2-6,9,11,13-15H,7-8,10,12,25H2,1H3,(H,27,28)
InChIKeyNTVIWMGTACWCOR-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.73
Rot. Bonds7

About methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate

methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate (PubChem CID 171066233) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
PubChem CID171066233
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Namemethyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(NCCc1cccc(CCN)c1)c1ccncc12
InChIInChI=1S/C24H24N4O2/c1-30-24(29)18-5-6-19-21-15-26-11-9-20(21)23(28-22(19)14-18)27-12-8-17-4-2-3-16(13-17)7-10-25/h2-6,9,11,13-15H,7-8,10,12,25H2,1H3,(H,27,28)
InChIKeyNTVIWMGTACWCOR-UHFFFAOYSA-N
XLogP3.73
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethanone;methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 161096043
5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066209
methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate
CID 25252836
methyl 3-(2-aminoethyl)benzoate
CID 10511548
5-[2-[(4S)-4-[(3-chlorophenyl)methylamino]pentoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066325
methyl 5-[2-[3-[2-[(3-chloro-4-phenylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
CID 171066315
methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate
CID 67041739
5-[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-(phenylmethoxycarbonylamino)butyl]amino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 171066534
methyl 5-[2-[3-[2-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-1H-1,2,4-triazol-5-yl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
CID 171066223
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
CID 118175984
5-[2-[4-[(5-phenyl-1,3-thiazol-2-yl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066521

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate?
The IUPAC name of methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate (CID 171066233) is methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate.
What is the SMILES notation for methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate?
The canonical SMILES for methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate is COC(=O)c1ccc2c(c1)nc(NCCc1cccc(CCN)c1)c1ccncc12.
What is the InChIKey of methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate?
The InChIKey is NTVIWMGTACWCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-30-24(29)18-5-6-19-21-15-26-11-9-20(21)23(28-22(19)14-18)27-12-8-17-4-2-3-16(13-17)7-10-25/h2-6,9,11,13-15H,7-8,10,12,25H2,1H3,(H,27,28).
What are the key properties of methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate?
methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate is sourced from PubChem (CID 171066233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).