2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione

C25H24N4O3 — CID 54490153

IUPAC2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H24N4O3/c1-2-32-16-22-27-21-15-26-20-12-6-5-11-19(20)23(21)28(22)13-7-8-14-29-24(30)17-9-3-4-10-18(17)25(29)31/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3
InChIKeyXVDALCBLPONIOD-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.20
Rot. Bonds8

About 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione

2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione (PubChem CID 54490153) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
PubChem CID54490153
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H24N4O3/c1-2-32-16-22-27-21-15-26-20-12-6-5-11-19(20)23(21)28(22)13-7-8-14-29-24(30)17-9-3-4-10-18(17)25(29)31/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3
InChIKeyXVDALCBLPONIOD-UHFFFAOYSA-N
XLogP4.20
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 141135348
4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
CID 68999938
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
tert-butyl N-[N'-[2-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 126651386
4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
CID 141108816
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal
CID 86626643

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione (CID 54490153) is 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione is CCOCc1nc2cnc3ccccc3c2n1CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione?
The InChIKey is XVDALCBLPONIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-32-16-22-27-21-15-26-20-12-6-5-11-19(20)23(21)28(22)13-7-8-14-29-24(30)17-9-3-4-10-18(17)25(29)31/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3.
What are the key properties of 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione?
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione has a molecular weight of 428.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione is sourced from PubChem (CID 54490153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).