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

C24H25F3N4O2 — CID 134169075

IUPAC3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(CCC(F)(F)F)c12
InChIInChI=1S/C24H25F3N4O2/c1-13-10-18-19(11-17(13)21-14(2)30-33-15(21)3)28-12-20-22(18)31(7-6-24(25,26)27)23(29-20)16-4-8-32-9-5-16/h10-12,16H,4-9H2,1-3H3
InChIKeyNBFRDPVKKFGFDY-UHFFFAOYSA-N
MW458.48 g/mol
LogP6.01
Rot. Bonds4

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

3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole (PubChem CID 134169075) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole
PubChem CID134169075
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(CCC(F)(F)F)c12
InChIInChI=1S/C24H25F3N4O2/c1-13-10-18-19(11-17(13)21-14(2)30-33-15(21)3)28-12-20-22(18)31(7-6-24(25,26)27)23(29-20)16-4-8-32-9-5-16/h10-12,16H,4-9H2,1-3H3
InChIKeyNBFRDPVKKFGFDY-UHFFFAOYSA-N
XLogP6.01
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole (CID 134169075) is 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole is Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(CCC(F)(F)F)c12.
What is the InChIKey of 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole?
The InChIKey is NBFRDPVKKFGFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-13-10-18-19(11-17(13)21-14(2)30-33-15(21)3)28-12-20-22(18)31(7-6-24(25,26)27)23(29-20)16-4-8-32-9-5-16/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole?
3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole has a molecular weight of 458.48 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole is sourced from PubChem (CID 134169075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).