[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone

C25H23N5O4 — CID 86295276

IUPAC[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
SMILESCOCCn1c(C(=O)c2cccnc2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21
InChIInChI=1S/C25H23N5O4/c1-14-22(15(2)34-29-14)18-10-19-17(11-21(18)33-4)23-20(13-27-19)28-25(30(23)8-9-32-3)24(31)16-6-5-7-26-12-16/h5-7,10-13H,8-9H2,1-4H3
InChIKeyKLPPZALFRVBFFF-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.14
Rot. Bonds7

About [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone

[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone (PubChem CID 86295276) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
PubChem CID86295276
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
SMILESCOCCn1c(C(=O)c2cccnc2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21
InChIInChI=1S/C25H23N5O4/c1-14-22(15(2)34-29-14)18-10-19-17(11-21(18)33-4)23-20(13-27-19)28-25(30(23)8-9-32-3)24(31)16-6-5-7-26-12-16/h5-7,10-13H,8-9H2,1-4H3
InChIKeyKLPPZALFRVBFFF-UHFFFAOYSA-N
XLogP4.14
TPSA105.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [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) is [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone is COCCn1c(C(=O)c2cccnc2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21.
What is the InChIKey of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone?
The InChIKey is KLPPZALFRVBFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-14-22(15(2)34-29-14)18-10-19-17(11-21(18)33-4)23-20(13-27-19)28-25(30(23)8-9-32-3)24(31)16-6-5-7-26-12-16/h5-7,10-13H,8-9H2,1-4H3.
What are the key properties of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone?
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone has a molecular weight of 457.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 86295276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).