2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

C25H29Cl2N5O2 — CID 71451072

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 71451072) has the molecular formula C25H29Cl2N5O2 and a molecular weight of 502.45 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

• Compound Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
• PubChem CID: 71451072
• Molecular Formula: C25H29Cl2N5O2
• Molecular Weight: 502.45 g/mol
• Exact Mass: 501.17
• IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
• SMILES: COCc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1.Cl
• InChI: InChI=1S/C25H28ClN5O2.ClH/c1-29-21-12-16(15-33-2)9-10-19(21)22-23(24(29)32)31(13-17-6-3-4-8-20(17)26)25(28-22)30-11-5-7-18(27)14-30;/h3-4,6,8-10,12,18H,5,7,11,13-15,27H2,1-2H3;1H/t18-;/m1./s1
• InChIKey: RJWZOQXNKIWPEB-GMUIIQOCSA-N
• XLogP: 4.09
• TPSA: 78.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.45
LogP ≤ 5	4.09
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]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?

The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 71451072) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-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]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?

The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is COCc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1.Cl.

What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?

The InChIKey is RJWZOQXNKIWPEB-GMUIIQOCSA-N. The full InChI is InChI=1S/C25H28ClN5O2.ClH/c1-29-21-12-16(15-33-2)9-10-19(21)22-23(24(29)32)31(13-17-6-3-4-8-20(17)26)25(28-22)30-11-5-7-18(27)14-30;/h3-4,6,8-10,12,18H,5,7,11,13-15,27H2,1-2H3;1H/t18-;/m1./s1.

What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 502.45 g/mol, XLogP of 4.09, 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]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 71451072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).