7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one

C25H24N4O3 — CID 70664065

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCC[C@H](c1ccccc1)n1c(=O)[nH]c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21
InChIInChI=1S/C25H24N4O3/c1-5-21(16-9-7-6-8-10-16)29-24-17-12-22(31-4)18(23-14(2)28-32-15(23)3)11-19(17)26-13-20(24)27-25(29)30/h6-13,21H,5H2,1-4H3,(H,27,30)/t21-/m1/s1
InChIKeySKRNOPQLHIMWNG-OAQYLSRUSA-N
MW428.49 g/mol
LogP5.16
Rot. Bonds5

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 70664065) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID70664065
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCC[C@H](c1ccccc1)n1c(=O)[nH]c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21
InChIInChI=1S/C25H24N4O3/c1-5-21(16-9-7-6-8-10-16)29-24-17-12-22(31-4)18(23-14(2)28-32-15(23)3)11-19(17)26-13-20(24)27-25(29)30/h6-13,21H,5H2,1-4H3,(H,27,30)/t21-/m1/s1
InChIKeySKRNOPQLHIMWNG-OAQYLSRUSA-N
XLogP5.16
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 70664065) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one is CC[C@H](c1ccccc1)n1c(=O)[nH]c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is SKRNOPQLHIMWNG-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-5-21(16-9-7-6-8-10-16)29-24-17-12-22(31-4)18(23-14(2)28-32-15(23)3)11-19(17)26-13-20(24)27-25(29)30/h6-13,21H,5H2,1-4H3,(H,27,30)/t21-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 428.49 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 70664065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).