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

C25H24N4O5 — CID 70664326

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cnc4cc(-c5c(C)noc5C)c(OC)cc4c32)c(OC)c1
InChIInChI=1S/C25H24N4O5/c1-13-23(14(2)34-28-13)18-9-19-17(10-22(18)33-5)24-20(11-26-19)27-25(30)29(24)12-15-6-7-16(31-3)8-21(15)32-4/h6-11H,12H2,1-5H3,(H,27,30)
InChIKeyTWKBUAFHIZATIS-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.22
Rot. Bonds6

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

1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 70664326) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID70664326
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cnc4cc(-c5c(C)noc5C)c(OC)cc4c32)c(OC)c1
InChIInChI=1S/C25H24N4O5/c1-13-23(14(2)34-28-13)18-9-19-17(10-22(18)33-5)24-20(11-26-19)27-25(30)29(24)12-15-6-7-16(31-3)8-21(15)32-4/h6-11H,12H2,1-5H3,(H,27,30)
InChIKeyTWKBUAFHIZATIS-UHFFFAOYSA-N
XLogP4.22
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one (CID 70664326) is 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one is COc1ccc(Cn2c(=O)[nH]c3cnc4cc(-c5c(C)noc5C)c(OC)cc4c32)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is TWKBUAFHIZATIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-13-23(14(2)34-28-13)18-9-19-17(10-22(18)33-5)24-20(11-26-19)27-25(30)29(24)12-15-6-7-16(31-3)8-21(15)32-4/h6-11H,12H2,1-5H3,(H,27,30).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 460.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 70664326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).