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

C24H22N4O3 — CID 70664240

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@@H](C)c3ccccc3)c12
InChIInChI=1S/C24H22N4O3/c1-13-22(15(3)31-27-13)18-10-19-17(11-21(18)30-4)23-20(12-25-19)26-24(29)28(23)14(2)16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,26,29)/t14-/m0/s1
InChIKeyJNYUGWPUYNNZOZ-AWEZNQCLSA-N
MW414.47 g/mol
LogP4.77
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 70664240) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID70664240
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@@H](C)c3ccccc3)c12
InChIInChI=1S/C24H22N4O3/c1-13-22(15(3)31-27-13)18-10-19-17(11-21(18)30-4)23-20(12-25-19)26-24(29)28(23)14(2)16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,26,29)/t14-/m0/s1
InChIKeyJNYUGWPUYNNZOZ-AWEZNQCLSA-N
XLogP4.77
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.77
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-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 70664240) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-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-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@@H](C)c3ccccc3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is JNYUGWPUYNNZOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-13-22(15(3)31-27-13)18-10-19-17(11-21(18)30-4)23-20(12-25-19)26-24(29)28(23)14(2)16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,26,29)/t14-/m0/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 414.47 g/mol, XLogP of 4.77, 4 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-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 70664240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).