tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate

C23H23N3O4 — CID 155070258

IUPACtert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCn1c2c(c3cnccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C23H23N3O4/c1-23(2,3)30-22(29)25-10-6-12-26-19-14-7-4-5-8-15(14)20(27)18(19)17-13-24-11-9-16(17)21(26)28/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,25,29)
InChIKeyJMOGXTYMAZOBPN-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.52
Rot. Bonds4

About tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate

tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate (PubChem CID 155070258) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate
PubChem CID155070258
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Nametert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCn1c2c(c3cnccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C23H23N3O4/c1-23(2,3)30-22(29)25-10-6-12-26-19-14-7-4-5-8-15(14)20(27)18(19)17-13-24-11-9-16(17)21(26)28/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,25,29)
InChIKeyJMOGXTYMAZOBPN-UHFFFAOYSA-N
XLogP3.52
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5,11-dioxoindeno[1,2-c]isoquinolin-3-yl]amino]-2-oxoacetate
CID 71546349
3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl 2-aminoacetate;hydrochloride
CID 52949231
tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate
CID 145044665
methyl 6-(3-imidazol-1-ylpropyl)-5,11-dioxoindeno[1,2-c]isoquinoline-3-carboxylate
CID 71600958
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
tert-butyl N-[3-(2-phenylanilino)propyl]carbamate
CID 113269142
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]carbamate
CID 164578067
tert-butyl N-[4-[2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]carbamate
CID 69317001
tert-butyl N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]carbamate
CID 141299270
6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 127252618
tert-butyl N-[3-[2-[amino(phenyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]propyl]carbamate
CID 118573618
6-[3-[3-[(3-chloro-4-phenylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]propyl]-5-oxobenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 171066356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate (CID 155070258) is tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCn1c2c(c3cnccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate?
The InChIKey is JMOGXTYMAZOBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-23(2,3)30-22(29)25-10-6-12-26-19-14-7-4-5-8-15(14)20(27)18(19)17-13-24-11-9-16(17)21(26)28/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,25,29).
What are the key properties of tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate?
tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate has a molecular weight of 405.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate is sourced from PubChem (CID 155070258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).