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

C27H27N5O3 — CID 52934042

IUPAC4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(Cc3ccccn3)c12
InChIInChI=1S/C27H27N5O3/c1-16-25(17(2)35-31-16)21-12-22-20(13-24(21)33-3)26-23(14-29-22)30-27(18-7-10-34-11-8-18)32(26)15-19-6-4-5-9-28-19/h4-6,9,12-14,18H,7-8,10-11,15H2,1-3H3
InChIKeyXIFVMWQMTMJBRC-UHFFFAOYSA-N
MW469.55 g/mol
LogP5.20
Rot. Bonds5

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

4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 52934042) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID52934042
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(Cc3ccccn3)c12
InChIInChI=1S/C27H27N5O3/c1-16-25(17(2)35-31-16)21-12-22-20(13-24(21)33-3)26-23(14-29-22)30-27(18-7-10-34-11-8-18)32(26)15-19-6-4-5-9-28-19/h4-6,9,12-14,18H,7-8,10-11,15H2,1-3H3
InChIKeyXIFVMWQMTMJBRC-UHFFFAOYSA-N
XLogP5.20
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-2-(oxan-4-yl)-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-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 52934042) is 4-[8-methoxy-2-(oxan-4-yl)-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-(oxan-4-yl)-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-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(Cc3ccccn3)c12.
What is the InChIKey of 4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XIFVMWQMTMJBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-16-25(17(2)35-31-16)21-12-22-20(13-24(21)33-3)26-23(14-29-22)30-27(18-7-10-34-11-8-18)32(26)15-19-6-4-5-9-28-19/h4-6,9,12-14,18H,7-8,10-11,15H2,1-3H3.
What are the key properties of 4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 469.55 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methoxy-2-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 52934042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).