2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride

C25H27Cl2N5O3 — CID 71456392

About 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride

2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride (PubChem CID 71456392) has the molecular formula C25H27Cl2N5O3 and a molecular weight of 516.43 g/mol. Its IUPAC name is 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride
• PubChem CID: 71456392
• Molecular Formula: C25H27Cl2N5O3
• Molecular Weight: 516.43 g/mol
• Exact Mass: 515.15
• IUPAC Name: 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride
• SMILES: Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2c(CC(=O)O)cccc21
• InChI: InChI=1S/C25H26ClN5O3.ClH/c1-29-19-10-4-7-15(12-20(32)33)21(19)22-23(24(29)34)31(13-16-6-2-3-9-18(16)26)25(28-22)30-11-5-8-17(27)14-30;/h2-4,6-7,9-10,17H,5,8,11-14,27H2,1H3,(H,32,33);1H/t17-;/m1./s1
• InChIKey: DYKZGZLGIFPQIN-UNTBIKODSA-N
• XLogP: 3.57
• TPSA: 106.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride?

The IUPAC name of 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride (CID 71456392) is 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride.

What is the SMILES notation for 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride?

The canonical SMILES for 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride is Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2c(CC(=O)O)cccc21.

What is the InChIKey of 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride?

The InChIKey is DYKZGZLGIFPQIN-UNTBIKODSA-N. The full InChI is InChI=1S/C25H26ClN5O3.ClH/c1-29-19-10-4-7-15(12-20(32)33)21(19)22-23(24(29)34)31(13-16-6-2-3-9-18(16)26)25(28-22)30-11-5-8-17(27)14-30;/h2-4,6-7,9-10,17H,5,8,11-14,27H2,1H3,(H,32,33);1H/t17-;/m1./s1.

What are the key properties of 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride?

2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride has a molecular weight of 516.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride is sourced from PubChem (CID 71456392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).