2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline

C26H29N3O3 — CID 23641681

IUPAC2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline
SMILESCOCCc1nc2cnc3c(OCc4ccccc4)cccc3c2n1CC1CCOCC1
InChIInChI=1S/C26H29N3O3/c1-30-13-12-24-28-22-16-27-25-21(26(22)29(24)17-19-10-14-31-15-11-19)8-5-9-23(25)32-18-20-6-3-2-4-7-20/h2-9,16,19H,10-15,17-18H2,1H3
InChIKeyDTRUEZQSLQXSNH-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.78
Rot. Bonds8

About 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline

2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline (PubChem CID 23641681) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline
PubChem CID23641681
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline
SMILESCOCCc1nc2cnc3c(OCc4ccccc4)cccc3c2n1CC1CCOCC1
InChIInChI=1S/C26H29N3O3/c1-30-13-12-24-28-22-16-27-25-21(26(22)29(24)17-19-10-14-31-15-11-19)8-5-9-23(25)32-18-20-6-3-2-4-7-20/h2-9,16,19H,10-15,17-18H2,1H3
InChIKeyDTRUEZQSLQXSNH-UHFFFAOYSA-N
XLogP4.78
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline?
The IUPAC name of 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline (CID 23641681) is 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline?
The canonical SMILES for 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline is COCCc1nc2cnc3c(OCc4ccccc4)cccc3c2n1CC1CCOCC1.
What is the InChIKey of 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline?
The InChIKey is DTRUEZQSLQXSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-30-13-12-24-28-22-16-27-25-21(26(22)29(24)17-19-10-14-31-15-11-19)8-5-9-23(25)32-18-20-6-3-2-4-7-20/h2-9,16,19H,10-15,17-18H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline?
2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline has a molecular weight of 431.54 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline is sourced from PubChem (CID 23641681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).