2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride

C26H30Cl2N6O2 — CID 71451065

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl
InChIInChI=1S/C26H29ClN6O2.ClH/c1-30(2)24(34)16-10-11-21-19(13-16)22-23(25(35)31(21)3)33(14-17-7-4-5-9-20(17)27)26(29-22)32-12-6-8-18(28)15-32;/h4-5,7,9-11,13,18H,6,8,12,14-15,28H2,1-3H3;1H/t18-;/m1./s1
InChIKeyJQXSXXJIYLCOPH-GMUIIQOCSA-N
MW529.47 g/mol
LogP3.64
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride (PubChem CID 71451065) has the molecular formula C26H30Cl2N6O2 and a molecular weight of 529.47 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
PubChem CID71451065
Molecular FormulaC26H30Cl2N6O2
Molecular Weight529.47 g/mol
Exact Mass528.18
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C.Cl
InChIInChI=1S/C26H29ClN6O2.ClH/c1-30(2)24(34)16-10-11-21-19(13-16)22-23(25(35)31(21)3)33(14-17-7-4-5-9-20(17)27)26(29-22)32-12-6-8-18(28)15-32;/h4-5,7,9-11,13,18H,6,8,12,14-15,28H2,1-3H3;1H/t18-;/m1./s1
InChIKeyJQXSXXJIYLCOPH-GMUIIQOCSA-N
XLogP3.64
TPSA89.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
N-(1H-benzimidazol-2-ylmethyl)-4-[(7-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-(3-methylbut-2-enyl)amino]benzamide
CID 49858108
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]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 56851485
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]-5-methyl-4-oxoimidazo[4,5-c]quinoline-9-carboxylic acid;hydrochloride
CID 71449269
2-[(3R)-3-aminopiperidin-1-yl]-3-benzyl-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71449271
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride?
The IUPAC name of 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) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride is CN(C)C(=O)c1ccc2c(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]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride?
The InChIKey is JQXSXXJIYLCOPH-GMUIIQOCSA-N. The full InChI is InChI=1S/C26H29ClN6O2.ClH/c1-30(2)24(34)16-10-11-21-19(13-16)22-23(25(35)31(21)3)33(14-17-7-4-5-9-20(17)27)26(29-22)32-12-6-8-18(28)15-32;/h4-5,7,9-11,13,18H,6,8,12,14-15,28H2,1-3H3;1H/t18-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride has a molecular weight of 529.47 g/mol, XLogP of 3.64, 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]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride is sourced from PubChem (CID 71451065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).