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

C23H21N5O3 — CID 52934275

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@@H](C)c3ccccn3)c12
InChIInChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m0/s1
InChIKeyVUVUVNZRUGEAHB-ZDUSSCGKSA-N
MW415.45 g/mol
LogP4.16
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 52934275) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-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-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID52934275
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@@H](C)c3ccccn3)c12
InChIInChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m0/s1
InChIKeyVUVUVNZRUGEAHB-ZDUSSCGKSA-N
XLogP4.16
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.16
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-[(1S)-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-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 52934275) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-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-methoxy-1-[(1S)-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-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@@H](C)c3ccccn3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is VUVUVNZRUGEAHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m0/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 415.45 g/mol, XLogP of 4.16, 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-[(1S)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 52934275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).