2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one

C25H26N4O4 — CID 146576808

IUPAC2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one
SMILESCCOCc1nc2c(N3C(=O)c4ccccc4C3O)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C25H26N4O4/c1-4-33-13-19-27-20-21(28(19)14-25(2,3)32)17-11-7-8-12-18(17)26-22(20)29-23(30)15-9-5-6-10-16(15)24(29)31/h5-12,23,30,32H,4,13-14H2,1-3H3
InChIKeySZYAOIZRJNDPQC-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.54
Rot. Bonds6

About 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one

2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 146576808) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one
PubChem CID146576808
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one
SMILESCCOCc1nc2c(N3C(=O)c4ccccc4C3O)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C25H26N4O4/c1-4-33-13-19-27-20-21(28(19)14-25(2,3)32)17-11-7-8-12-18(17)26-22(20)29-23(30)15-9-5-6-10-16(15)24(29)31/h5-12,23,30,32H,4,13-14H2,1-3H3
InChIKeySZYAOIZRJNDPQC-UHFFFAOYSA-N
XLogP3.54
TPSA100.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one 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

1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 163528617
(2S)-2-amino-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-methylpentanamide
CID 135228158
N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide
CID 135228147
1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 147313181
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;3,6-dimethyl-1,4-dioxane-2,5-dione;1,4-dioxane-2,5-dione;N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
CID 159245643
3,3-dimethylbutan-1-ol;ethane;N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]propanamide;3-methylbutanamide
CID 163291857
(2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide
CID 159773854
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
(2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide;2-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
CID 161156719
1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea
CID 118231808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one (CID 146576808) is 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one is CCOCc1nc2c(N3C(=O)c4ccccc4C3O)nc3ccccc3c2n1CC(C)(C)O.
What is the InChIKey of 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is SZYAOIZRJNDPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-4-33-13-19-27-20-21(28(19)14-25(2,3)32)17-11-7-8-12-18(17)26-22(20)29-23(30)15-9-5-6-10-16(15)24(29)31/h5-12,23,30,32H,4,13-14H2,1-3H3.
What are the key properties of 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one?
2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 446.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 146576808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).