methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate

C26H23N5O3 — CID 71554021

About methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate

methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate (PubChem CID 71554021) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate
• PubChem CID: 71554021
• Molecular Formula: C26H23N5O3
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.18
• IUPAC Name: methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate
• SMILES: COC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C)c2C)c(=O)n4C)cn1
• InChI: InChI=1S/C26H23N5O3/c1-15-6-5-7-21(16(15)2)31-24-19-12-17(18-9-11-23(28-13-18)29-25(32)34-4)8-10-20(19)27-14-22(24)30(3)26(31)33/h5-14H,1-4H3,(H,28,29,32)
• InChIKey: SHCBQNGZDKDGAS-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate?

The IUPAC name of methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate (CID 71554021) is methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate?

The canonical SMILES for methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C)c2C)c(=O)n4C)cn1.

What is the InChIKey of methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate?

The InChIKey is SHCBQNGZDKDGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-15-6-5-7-21(16(15)2)31-24-19-12-17(18-9-11-23(28-13-18)29-25(32)34-4)8-10-20(19)27-14-22(24)30(3)26(31)33/h5-14H,1-4H3,(H,28,29,32).

What are the key properties of methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate?

methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate has a molecular weight of 453.50 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 71554021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).