7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

C22H26N4O4 — CID 123985108

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCOCCn1c(=O)n(C(C)C)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21
InChIInChI=1S/C22H26N4O4/c1-12(2)26-21-15-10-19(29-6)16(20-13(3)24-30-14(20)4)9-17(15)23-11-18(21)25(22(26)27)7-8-28-5/h9-12H,7-8H2,1-6H3
InChIKeyVRQPBPZVCSVTNC-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.86
Rot. Bonds6

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 123985108) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
PubChem CID123985108
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCOCCn1c(=O)n(C(C)C)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21
InChIInChI=1S/C22H26N4O4/c1-12(2)26-21-15-10-19(29-6)16(20-13(3)24-30-14(20)4)9-17(15)23-11-18(21)25(22(26)27)7-8-28-5/h9-12H,7-8H2,1-6H3
InChIKeyVRQPBPZVCSVTNC-UHFFFAOYSA-N
XLogP3.86
TPSA84.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
CID 86295276
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
CID 164621563
4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 71259053
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554
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-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
CID 90222565
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
1-(cyclohexylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 52935407
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
CID 118863733
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
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

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one (CID 123985108) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one is COCCn1c(=O)n(C(C)C)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is VRQPBPZVCSVTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-12(2)26-21-15-10-19(29-6)16(20-13(3)24-30-14(20)4)9-17(15)23-11-18(21)25(22(26)27)7-8-28-5/h9-12H,7-8H2,1-6H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 410.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 123985108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).