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

C24H27Cl2N5O — CID 56851485

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCc1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl
InChIInChI=1S/C24H26ClN5O.ClH/c1-15-9-10-20-18(12-15)21-22(23(31)28(20)2)30(13-16-6-3-4-8-19(16)25)24(27-21)29-11-5-7-17(26)14-29;/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3;1H/t17-;/m1./s1
InChIKeyCPABBMJONNXFGH-UNTBIKODSA-N
MW472.42 g/mol
LogP4.25
Rot. Bonds3

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

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 56851485) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID56851485
Molecular FormulaC24H27Cl2N5O
Molecular Weight472.42 g/mol
Exact Mass471.16
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCc1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl
InChIInChI=1S/C24H26ClN5O.ClH/c1-15-9-10-20-18(12-15)21-22(23(31)28(20)2)30(13-16-6-3-4-8-19(16)25)24(27-21)29-11-5-7-17(26)14-29;/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3;1H/t17-;/m1./s1
InChIKeyCPABBMJONNXFGH-UNTBIKODSA-N
XLogP4.25
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1,8-dimethyl-
CID 3077034
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylic acid;hydrochloride
CID 71461809
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 69438264
4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1-(phenylmethyl)-
CID 3077022
2-(2-Chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
CID 51000500
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 56851483
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
CID 71449267
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71449268
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one
CID 71449276
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-6-carboxylic acid;hydrochloride
CID 71449279
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
CID 71451065
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71451070

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 56851485) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride is Cc1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is CPABBMJONNXFGH-UNTBIKODSA-N. The full InChI is InChI=1S/C24H26ClN5O.ClH/c1-15-9-10-20-18(12-15)21-22(23(31)28(20)2)30(13-16-6-3-4-8-19(16)25)24(27-21)29-11-5-7-17(26)14-29;/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3;1H/t17-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 472.42 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 56851485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).