4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C24H26F2N4O3 — CID 166751554

IUPAC4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCCC3)n(CCOC(F)F)c12
InChIInChI=1S/C24H26F2N4O3/c1-13-21(14(2)33-29-13)17-10-18-16(11-20(17)31-3)22-19(12-27-18)28-23(15-6-4-5-7-15)30(22)8-9-32-24(25)26/h10-12,15,24H,4-9H2,1-3H3
InChIKeyCVGOWVDHYZWJSX-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.76
Rot. Bonds7

About 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 166751554) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID166751554
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Name4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCCC3)n(CCOC(F)F)c12
InChIInChI=1S/C24H26F2N4O3/c1-13-21(14(2)33-29-13)17-10-18-16(11-20(17)31-3)22-19(12-27-18)28-23(15-6-4-5-7-15)30(22)8-9-32-24(25)26/h10-12,15,24H,4-9H2,1-3H3
InChIKeyCVGOWVDHYZWJSX-UHFFFAOYSA-N
XLogP5.76
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 166751554) is 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCCC3)n(CCOC(F)F)c12.
What is the InChIKey of 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CVGOWVDHYZWJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-13-21(14(2)33-29-13)17-10-18-16(11-20(17)31-3)22-19(12-27-18)28-23(15-6-4-5-7-15)30(22)8-9-32-24(25)26/h10-12,15,24H,4-9H2,1-3H3.
What are the key properties of 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 456.49 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 166751554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).