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

C28H34Cl2N6O3 — CID 118728153

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

2-(dimethylamino)ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride (PubChem CID 118728153) has the molecular formula C28H34Cl2N6O3 and a molecular weight of 573.53 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 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: 2-(dimethylamino)ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride
• PubChem CID: 118728153
• Molecular Formula: C28H34Cl2N6O3
• Molecular Weight: 573.53 g/mol
• Exact Mass: 572.21
• IUPAC Name: 2-(dimethylamino)ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride
• SMILES: CN(C)CCOC(=O)c1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl
• InChI: InChI=1S/C28H33ClN6O3.ClH/c1-32(2)13-14-38-27(37)18-10-11-23-21(15-18)24-25(26(36)33(23)3)35(16-19-7-4-5-9-22(19)29)28(31-24)34-12-6-8-20(30)17-34;/h4-5,7,9-11,15,20H,6,8,12-14,16-17,30H2,1-3H3;1H/t20-;/m1./s1
• InChIKey: ZCGZICPDVICNNU-VEIFNGETSA-N
• XLogP: 3.66
• TPSA: 98.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.53
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 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 2-(dimethylamino)ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride (CID 118728153) is 2-(dimethylamino)ethyl 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 2-(dimethylamino)ethyl 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 2-(dimethylamino)ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride is CN(C)CCOC(=O)c1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl.

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

The InChIKey is ZCGZICPDVICNNU-VEIFNGETSA-N. The full InChI is InChI=1S/C28H33ClN6O3.ClH/c1-32(2)13-14-38-27(37)18-10-11-23-21(15-18)24-25(26(36)33(23)3)35(16-19-7-4-5-9-22(19)29)28(31-24)34-12-6-8-20(30)17-34;/h4-5,7,9-11,15,20H,6,8,12-14,16-17,30H2,1-3H3;1H/t20-;/m1./s1.

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

2-(dimethylamino)ethyl 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 573.53 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 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 118728153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).