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

C28H25F3N4O4 — CID 70663944

IUPAC4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(-c3ccccc3OC(F)(F)F)c12
InChIInChI=1S/C28H25F3N4O4/c1-15-25(16(2)39-34-15)19-12-20-18(13-24(19)36-3)26-21(14-32-20)33-27(17-8-10-37-11-9-17)35(26)22-6-4-5-7-23(22)38-28(29,30)31/h4-7,12-14,17H,8-11H2,1-3H3
InChIKeyPHROWNCPSHAVSO-UHFFFAOYSA-N
MW538.53 g/mol
LogP6.65
Rot. Bonds5

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

4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 70663944) has the molecular formula C28H25F3N4O4 and a molecular weight of 538.53 g/mol. Its IUPAC name is 4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID70663944
Molecular FormulaC28H25F3N4O4
Molecular Weight538.53 g/mol
Exact Mass538.18
IUPAC Name4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(-c3ccccc3OC(F)(F)F)c12
InChIInChI=1S/C28H25F3N4O4/c1-15-25(16(2)39-34-15)19-12-20-18(13-24(19)36-3)26-21(14-32-20)33-27(17-8-10-37-11-9-17)35(26)22-6-4-5-7-23(22)38-28(29,30)31/h4-7,12-14,17H,8-11H2,1-3H3
InChIKeyPHROWNCPSHAVSO-UHFFFAOYSA-N
XLogP6.65
TPSA84.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.53
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 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) is 4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(-c3ccccc3OC(F)(F)F)c12.
What is the InChIKey of 4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is PHROWNCPSHAVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O4/c1-15-25(16(2)39-34-15)19-12-20-18(13-24(19)36-3)26-21(14-32-20)33-27(17-8-10-37-11-9-17)35(26)22-6-4-5-7-23(22)38-28(29,30)31/h4-7,12-14,17H,8-11H2,1-3H3.
What are the key properties of 4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 538.53 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 70663944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).