2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

C24H25Cl2F2N5O2 — CID 71456390

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 71456390) has the molecular formula C24H25Cl2F2N5O2 and a molecular weight of 524.40 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

• Compound Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
• PubChem CID: 71456390
• Molecular Formula: C24H25Cl2F2N5O2
• Molecular Weight: 524.40 g/mol
• Exact Mass: 523.14
• IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
• SMILES: Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2cc(OC(F)F)ccc21
• InChI: InChI=1S/C24H24ClF2N5O2.ClH/c1-30-19-9-8-16(34-23(26)27)11-17(19)20-21(22(30)33)32(12-14-5-2-3-7-18(14)25)24(29-20)31-10-4-6-15(28)13-31;/h2-3,5,7-9,11,15,23H,4,6,10,12-13,28H2,1H3;1H/t15-;/m1./s1
• InChIKey: VWEAPIKTYDXBSI-XFULWGLBSA-N
• XLogP: 4.54
• TPSA: 78.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.40
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?

The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 71456390) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?

The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2cc(OC(F)F)ccc21.

What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?

The InChIKey is VWEAPIKTYDXBSI-XFULWGLBSA-N. The full InChI is InChI=1S/C24H24ClF2N5O2.ClH/c1-30-19-9-8-16(34-23(26)27)11-17(19)20-21(22(30)33)32(12-14-5-2-3-7-18(14)25)24(29-20)31-10-4-6-15(28)13-31;/h2-3,5,7-9,11,15,23H,4,6,10,12-13,28H2,1H3;1H/t15-;/m1./s1.

What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 524.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 71456390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).