4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C24H23N5O3 — CID 52934277

IUPAC4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1
InChIInChI=1S/C24H23N5O3/c1-14-23(15(2)32-28-14)18-9-19-17(10-21(18)31-4)24-20(11-26-19)27-22(13-30-3)29(24)12-16-7-5-6-8-25-16/h5-11H,12-13H2,1-4H3
InChIKeyXDSLEACFBJQMRD-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.45
Rot. Bonds6

About 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 52934277) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID52934277
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1
InChIInChI=1S/C24H23N5O3/c1-14-23(15(2)32-28-14)18-9-19-17(10-21(18)31-4)24-20(11-26-19)27-22(13-30-3)29(24)12-16-7-5-6-8-25-16/h5-11H,12-13H2,1-4H3
InChIKeyXDSLEACFBJQMRD-UHFFFAOYSA-N
XLogP4.45
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 52934277) is 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1.
What is the InChIKey of 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XDSLEACFBJQMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-23(15(2)32-28-14)18-9-19-17(10-21(18)31-4)24-20(11-26-19)27-22(13-30-3)29(24)12-16-7-5-6-8-25-16/h5-11H,12-13H2,1-4H3.
What are the key properties of 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 429.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 52934277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).