2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

C24H27Cl2N5O2 — CID 71449277

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCOc1cccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c12.Cl
InChIInChI=1S/C24H26ClN5O2.ClH/c1-28-21-17(9-5-11-19(21)32-2)20-22(23(28)31)30(13-15-7-3-4-10-18(15)25)24(27-20)29-12-6-8-16(26)14-29;/h3-5,7,9-11,16H,6,8,12-14,26H2,1-2H3;1H/t16-;/m1./s1
InChIKeyWLMVGLWVBSPDLK-PKLMIRHRSA-N
MW488.42 g/mol
LogP3.95
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 71449277) has the molecular formula C24H27Cl2N5O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID71449277
Molecular FormulaC24H27Cl2N5O2
Molecular Weight488.42 g/mol
Exact Mass487.15
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCOc1cccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c12.Cl
InChIInChI=1S/C24H26ClN5O2.ClH/c1-28-21-17(9-5-11-19(21)32-2)20-22(23(28)31)30(13-15-7-3-4-10-18(15)25)24(27-20)29-12-6-8-16(26)14-29;/h3-5,7,9-11,16H,6,8,12-14,26H2,1-2H3;1H/t16-;/m1./s1
InChIKeyWLMVGLWVBSPDLK-PKLMIRHRSA-N
XLogP3.95
TPSA78.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71449263
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71451063
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71451072
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71456390
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71456399
methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylate;hydrochloride
CID 71458242
methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride
CID 71460087
methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-6-carboxylate;hydrochloride
CID 71460093
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
7-[(2-Chloro-6-fluorophenyl)methyl]-8-[2-(3-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
CID 68829827
US12421225, Example 17
CID 150640891
2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid
CID 71449264

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 71449277) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-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]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is COc1cccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c12.Cl.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is WLMVGLWVBSPDLK-PKLMIRHRSA-N. The full InChI is InChI=1S/C24H26ClN5O2.ClH/c1-28-21-17(9-5-11-19(21)32-2)20-22(23(28)31)30(13-15-7-3-4-10-18(15)25)24(27-20)29-12-6-8-16(26)14-29;/h3-5,7,9-11,16H,6,8,12-14,26H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 488.42 g/mol, XLogP of 3.95, 4 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]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 71449277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).