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

C22H24N4O4 — CID 70980220

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CCOCC3)c12
InChIInChI=1S/C22H24N4O4/c1-12-20(13(2)30-25-12)16-8-17-15(9-19(16)28-3)21-18(10-23-17)24-22(27)26(21)11-14-4-6-29-7-5-14/h8-10,14H,4-7,11H2,1-3H3,(H,24,27)
InChIKeyNPSQZFFCDADHRE-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.58
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 70980220) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID70980220
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CCOCC3)c12
InChIInChI=1S/C22H24N4O4/c1-12-20(13(2)30-25-12)16-8-17-15(9-19(16)28-3)21-18(10-23-17)24-22(27)26(21)11-14-4-6-29-7-5-14/h8-10,14H,4-7,11H2,1-3H3,(H,24,27)
InChIKeyNPSQZFFCDADHRE-UHFFFAOYSA-N
XLogP3.58
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one (CID 70980220) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-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-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CCOCC3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is NPSQZFFCDADHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-12-20(13(2)30-25-12)16-8-17-15(9-19(16)28-3)21-18(10-23-17)24-22(27)26(21)11-14-4-6-29-7-5-14/h8-10,14H,4-7,11H2,1-3H3,(H,24,27).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 408.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 70980220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).