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

C24H26ClN5O2 — CID 71449276

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(CO)cc21
InChIInChI=1S/C24H26ClN5O2/c1-28-20-11-15(14-31)8-9-18(20)21-22(23(28)32)30(12-16-5-2-3-7-19(16)25)24(27-21)29-10-4-6-17(26)13-29/h2-3,5,7-9,11,17,31H,4,6,10,12-14,26H2,1H3/t17-/m1/s1
InChIKeyWDPAPKDZZYCYSS-QGZVFWFLSA-N
MW451.96 g/mol
LogP3.01
Rot. Bonds4

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

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one (PubChem CID 71449276) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one
PubChem CID71449276
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(CO)cc21
InChIInChI=1S/C24H26ClN5O2/c1-28-20-11-15(14-31)8-9-18(20)21-22(23(28)32)30(12-16-5-2-3-7-19(16)25)24(27-21)29-10-4-6-17(26)13-29/h2-3,5,7-9,11,17,31H,4,6,10,12-14,26H2,1H3/t17-/m1/s1
InChIKeyWDPAPKDZZYCYSS-QGZVFWFLSA-N
XLogP3.01
TPSA89.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-3-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylic acid;hydrochloride
CID 71460081
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
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylate;hydrochloride
CID 69437476
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
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-fluorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71449261
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]-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]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one (CID 71449276) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one is Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(CO)cc21.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one?
The InChIKey is WDPAPKDZZYCYSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-28-20-11-15(14-31)8-9-18(20)21-22(23(28)32)30(12-16-5-2-3-7-19(16)25)24(27-21)29-10-4-6-17(26)13-29/h2-3,5,7-9,11,17,31H,4,6,10,12-14,26H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one has a molecular weight of 451.96 g/mol, XLogP of 3.01, 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]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 71449276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).