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

C22H18FN5O2 — CID 122705191

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-c1cc2ncc3[nH]c(=O)n([C@H](C)c4ccccn4)c3c2cc1F
InChIInChI=1S/C22H18FN5O2/c1-11-20(13(3)30-27-11)14-9-18-15(8-16(14)23)21-19(10-25-18)26-22(29)28(21)12(2)17-6-4-5-7-24-17/h4-10,12H,1-3H3,(H,26,29)/t12-/m1/s1
InChIKeyZZUITWCTIHSURZ-GFCCVEGCSA-N
MW403.42 g/mol
LogP4.29
Rot. Bonds3

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 122705191) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID122705191
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-c1cc2ncc3[nH]c(=O)n([C@H](C)c4ccccn4)c3c2cc1F
InChIInChI=1S/C22H18FN5O2/c1-11-20(13(3)30-27-11)14-9-18-15(8-16(14)23)21-19(10-25-18)26-22(29)28(21)12(2)17-6-4-5-7-24-17/h4-10,12H,1-3H3,(H,26,29)/t12-/m1/s1
InChIKeyZZUITWCTIHSURZ-GFCCVEGCSA-N
XLogP4.29
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 122705191) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one is Cc1noc(C)c1-c1cc2ncc3[nH]c(=O)n([C@H](C)c4ccccn4)c3c2cc1F.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is ZZUITWCTIHSURZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-11-20(13(3)30-27-11)14-9-18-15(8-16(14)23)21-19(10-25-18)26-22(29)28(21)12(2)17-6-4-5-7-24-17/h4-10,12H,1-3H3,(H,26,29)/t12-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 403.42 g/mol, XLogP of 4.29, 3 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-fluoro-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122705191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).