2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione

C23H21N5O3 — CID 68540420

IUPAC2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione
SMILESCCCc1nc2cnc3cccnc3c2n1CCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H21N5O3/c1-2-7-19-26-18-14-25-17-10-5-11-24-20(17)21(18)27(19)12-6-13-31-28-22(29)15-8-3-4-9-16(15)23(28)30/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKeyZRTAWRMMQOCBFJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.55
Rot. Bonds7

About 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione

2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione (PubChem CID 68540420) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione
PubChem CID68540420
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione
SMILESCCCc1nc2cnc3cccnc3c2n1CCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H21N5O3/c1-2-7-19-26-18-14-25-17-10-5-11-24-20(17)21(18)27(19)12-6-13-31-28-22(29)15-8-3-4-9-16(15)23(28)30/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKeyZRTAWRMMQOCBFJ-UHFFFAOYSA-N
XLogP3.55
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine
CID 87867627
2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine
CID 174513407
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-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172746
N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide
CID 66958603
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
tert-butyl [2,2-dimethylpropanoyl-[4-(2-propylimidazo[4,5-c]quinolin-1-yl)butyl]amino] carbonate
CID 86612262
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
2-[3-(propylamino)propoxy]isoindole-1,3-dione
CID 59259670
ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane
CID 90820432

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione (CID 68540420) is 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione is CCCc1nc2cnc3cccnc3c2n1CCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione?
The InChIKey is ZRTAWRMMQOCBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-2-7-19-26-18-14-25-17-10-5-11-24-20(17)21(18)27(19)12-6-13-31-28-22(29)15-8-3-4-9-16(15)23(28)30/h3-5,8-11,14H,2,6-7,12-13H2,1H3.
What are the key properties of 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione?
2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione has a molecular weight of 415.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione is sourced from PubChem (CID 68540420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).