1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C24H27N3O3 — CID 67051136

IUPAC1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C24H27N3O3/c1-4-29-15-22-26-21-13-25-20-12-18(30-14-17-8-6-5-7-9-17)10-11-19(20)23(21)27(22)16-24(2,3)28/h5-13,28H,4,14-16H2,1-3H3
InChIKeyWBNBQAAALVYHIS-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.47
Rot. Bonds8

About 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 67051136) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID67051136
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C24H27N3O3/c1-4-29-15-22-26-21-13-25-20-12-18(30-14-17-8-6-5-7-9-17)10-11-19(20)23(21)27(22)16-24(2,3)28/h5-13,28H,4,14-16H2,1-3H3
InChIKeyWBNBQAAALVYHIS-UHFFFAOYSA-N
XLogP4.47
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 67051136) is 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is WBNBQAAALVYHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-29-15-22-26-21-13-25-20-12-18(30-14-17-8-6-5-7-9-17)10-11-19(20)23(21)27(22)16-24(2,3)28/h5-13,28H,4,14-16H2,1-3H3.
What are the key properties of 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 405.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 67051136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).