ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C28H42N4O3 — CID 144547349

IUPACethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCC.CC.CC.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(C)c12
InChIInChI=1S/C22H24N4O3.3C2H6/c1-12-20(13(2)29-25-12)16-9-17-15(10-19(16)27-4)21-18(11-23-17)24-22(26(21)3)14-5-7-28-8-6-14;3*1-2/h9-11,14H,5-8H2,1-4H3;3*1-2H3
InChIKeyGWPMICKFHDXSBP-UHFFFAOYSA-N
MW482.67 g/mol
LogP7.37
Rot. Bonds3

About ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 144547349) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Nameethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID144547349
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Nameethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCC.CC.CC.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(C)c12
InChIInChI=1S/C22H24N4O3.3C2H6/c1-12-20(13(2)29-25-12)16-9-17-15(10-19(16)27-4)21-18(11-23-17)24-22(26(21)3)14-5-7-28-8-6-14;3*1-2/h9-11,14H,5-8H2,1-4H3;3*1-2H3
InChIKeyGWPMICKFHDXSBP-UHFFFAOYSA-N
XLogP7.37
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 71259053
4-[8-methoxy-2-(oxan-4-yl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70663935
4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70663944
4-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70664300
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 164623489
3-[2-[2-[2-[2-[2-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methoxypropan-2-yl)-2-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166694400
1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]ethane-1,2-diamine
CID 123553196
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
CID 164621563
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]-phenylmethanone
CID 86295487
3-[2-[2-[2-[2-[2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-methoxypropan-2-yl)imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166694336
4-[2,8-dimethoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122705179

Frequently Asked Questions

What is the IUPAC name of ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 144547349) is ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is CC.CC.CC.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(C)c12.
What is the InChIKey of ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is GWPMICKFHDXSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.3C2H6/c1-12-20(13(2)29-25-12)16-9-17-15(10-19(16)27-4)21-18(11-23-17)24-22(26(21)3)14-5-7-28-8-6-14;3*1-2/h9-11,14H,5-8H2,1-4H3;3*1-2H3.
What are the key properties of ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 482.67 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 144547349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).