methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride

C25H27Cl2N5O3 — CID 71460087

About methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride

methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride (PubChem CID 71460087) has the molecular formula C25H27Cl2N5O3 and a molecular weight of 516.43 g/mol. Its IUPAC name is methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride
• PubChem CID: 71460087
• Molecular Formula: C25H27Cl2N5O3
• Molecular Weight: 516.43 g/mol
• Exact Mass: 515.15
• IUPAC Name: methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride
• SMILES: COC(=O)c1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl
• InChI: InChI=1S/C25H26ClN5O3.ClH/c1-29-20-10-9-15(24(33)34-2)12-18(20)21-22(23(29)32)31(13-16-6-3-4-8-19(16)26)25(28-21)30-11-5-7-17(27)14-30;/h3-4,6,8-10,12,17H,5,7,11,13-14,27H2,1-2H3;1H/t17-;/m1./s1
• InChIKey: FFWHKIHMXJKXLQ-UNTBIKODSA-N
• XLogP: 3.73
• TPSA: 95.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride?

The IUPAC name of methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride (CID 71460087) is methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride.

What is the SMILES notation for methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride?

The canonical SMILES for methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl.

What is the InChIKey of methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride?

The InChIKey is FFWHKIHMXJKXLQ-UNTBIKODSA-N. The full InChI is InChI=1S/C25H26ClN5O3.ClH/c1-29-20-10-9-15(24(33)34-2)12-18(20)21-22(23(29)32)31(13-16-6-3-4-8-19(16)26)25(28-21)30-11-5-7-17(27)14-30;/h3-4,6,8-10,12,17H,5,7,11,13-14,27H2,1-2H3;1H/t17-;/m1./s1.

What are the key properties of methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride?

methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride has a molecular weight of 516.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride is sourced from PubChem (CID 71460087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).