1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C21H29N3O2 — CID 163528617

IUPAC1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2c(CC(C)C)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C21H29N3O2/c1-6-26-12-18-23-19-17(11-14(2)3)22-16-10-8-7-9-15(16)20(19)24(18)13-21(4,5)25/h7-10,14,25H,6,11-13H2,1-5H3
InChIKeyCQRYTFBZVOEUIR-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.09
Rot. Bonds7

About 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 163528617) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID163528617
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2c(CC(C)C)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C21H29N3O2/c1-6-26-12-18-23-19-17(11-14(2)3)22-16-10-8-7-9-15(16)20(19)24(18)13-21(4,5)25/h7-10,14,25H,6,11-13H2,1-5H3
InChIKeyCQRYTFBZVOEUIR-UHFFFAOYSA-N
XLogP4.09
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 163528617) is 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCOCc1nc2c(CC(C)C)nc3ccccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is CQRYTFBZVOEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-6-26-12-18-23-19-17(11-14(2)3)22-16-10-8-7-9-15(16)20(19)24(18)13-21(4,5)25/h7-10,14,25H,6,11-13H2,1-5H3.
What are the key properties of 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 355.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 163528617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).