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

C23H23Cl2N5O3 — CID 154701303

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C(C)c3ccccn3)c12.Cl.Cl
InChIInChI=1S/C23H21N5O3.2ClH/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);2*1H
InChIKeyUFLKDZBLUNJNJS-UHFFFAOYSA-N
MW488.38 g/mol
LogP5.01
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride (PubChem CID 154701303) has the molecular formula C23H23Cl2N5O3 and a molecular weight of 488.38 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride
PubChem CID154701303
Molecular FormulaC23H23Cl2N5O3
Molecular Weight488.38 g/mol
Exact Mass487.12
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C(C)c3ccccn3)c12.Cl.Cl
InChIInChI=1S/C23H21N5O3.2ClH/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);2*1H
InChIKeyUFLKDZBLUNJNJS-UHFFFAOYSA-N
XLogP5.01
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52934274
7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 52933561
4-[2,8-dimethoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122705179
4-[8-methoxy-2-(oxan-4-yl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70663935
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide
CID 122705108
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 164623489
1-(cyclohexylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 52935407
1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 70664326
4-[8-methoxy-1-(pyridin-2-ylmethyl)triazolo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 52932859
2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-8-methoxy-1-(1-pyridin-2-ylethyl)-2H-imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-(1-pyridin-2-ylethyl)imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethyl]acetamide
CID 129177512
7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-one
CID 121424059

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride (CID 154701303) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride is COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C(C)c3ccccn3)c12.Cl.Cl.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride?
The InChIKey is UFLKDZBLUNJNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.2ClH/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);2*1H.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride has a molecular weight of 488.38 g/mol, XLogP of 5.01, 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-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride is sourced from PubChem (CID 154701303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).