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

C24H26Cl2N6O2 — CID 71449267

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
SMILESCl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2cc(C(N)=O)ccc21
InChIInChI=1S/C24H25ClN6O2.ClH/c1-29-19-9-8-14(22(27)32)11-17(19)20-21(23(29)33)31(12-15-5-2-3-7-18(15)25)24(28-20)30-10-4-6-16(26)13-30;/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H2,27,32);1H/t16-;/m1./s1
InChIKeyDYKCIAITRCCBDL-PKLMIRHRSA-N
MW501.42 g/mol
LogP3.04
Rot. Bonds4

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

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride (PubChem CID 71449267) has the molecular formula C24H26Cl2N6O2 and a molecular weight of 501.42 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
PubChem CID71449267
Molecular FormulaC24H26Cl2N6O2
Molecular Weight501.42 g/mol
Exact Mass500.15
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
SMILESCl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2cc(C(N)=O)ccc21
InChIInChI=1S/C24H25ClN6O2.ClH/c1-29-19-9-8-14(22(27)32)11-17(19)20-21(23(29)33)31(12-15-5-2-3-7-18(15)25)24(28-20)30-10-4-6-16(26)13-30;/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H2,27,32);1H/t16-;/m1./s1
InChIKeyDYKCIAITRCCBDL-PKLMIRHRSA-N
XLogP3.04
TPSA112.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride (CID 71449267) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-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]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride is Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2cc(C(N)=O)ccc21.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride?
The InChIKey is DYKCIAITRCCBDL-PKLMIRHRSA-N. The full InChI is InChI=1S/C24H25ClN6O2.ClH/c1-29-19-9-8-14(22(27)32)11-17(19)20-21(23(29)33)31(12-15-5-2-3-7-18(15)25)24(28-20)30-10-4-6-16(26)13-30;/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H2,27,32);1H/t16-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride has a molecular weight of 501.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 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]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride is sourced from PubChem (CID 71449267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).