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

C23H20N4O3 — CID 70691699

IUPAC1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(Cc3ccccc3)c12
InChIInChI=1S/C23H20N4O3/c1-13-21(14(2)30-26-13)17-9-18-16(10-20(17)29-3)22-19(11-24-18)25-23(28)27(22)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,25,28)
InChIKeyVYWGWQXJWULHNO-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.21
Rot. Bonds4

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

1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 70691699) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID70691699
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(Cc3ccccc3)c12
InChIInChI=1S/C23H20N4O3/c1-13-21(14(2)30-26-13)17-9-18-16(10-20(17)29-3)22-19(11-24-18)25-23(28)27(22)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,25,28)
InChIKeyVYWGWQXJWULHNO-UHFFFAOYSA-N
XLogP4.21
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one (CID 70691699) is 1-benzyl-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-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is VYWGWQXJWULHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-13-21(14(2)30-26-13)17-9-18-16(10-20(17)29-3)22-19(11-24-18)25-23(28)27(22)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,25,28).
What are the key properties of 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 400.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 70691699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).