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

C24H27Cl2N5O — CID 71451070

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCCn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccccc21.Cl
InChIInChI=1S/C24H26ClN5O.ClH/c1-2-29-20-12-6-4-10-18(20)21-22(23(29)31)30(14-16-8-3-5-11-19(16)25)24(27-21)28-13-7-9-17(26)15-28;/h3-6,8,10-12,17H,2,7,9,13-15,26H2,1H3;1H/t17-;/m1./s1
InChIKeyOJCRQNZEZRHPNT-UNTBIKODSA-N
MW472.42 g/mol
LogP4.42
Rot. Bonds4

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

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 71451070) 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-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID71451070
Molecular FormulaC24H27Cl2N5O
Molecular Weight472.42 g/mol
Exact Mass471.16
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCCn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccccc21.Cl
InChIInChI=1S/C24H26ClN5O.ClH/c1-2-29-20-12-6-4-10-18(20)21-22(23(29)31)30(14-16-8-3-5-11-19(16)25)24(27-21)28-13-7-9-17(26)15-28;/h3-6,8,10-12,17H,2,7,9,13-15,26H2,1H3;1H/t17-;/m1./s1
InChIKeyOJCRQNZEZRHPNT-UNTBIKODSA-N
XLogP4.42
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.42
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-methyl-
CID 3077017
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
6-Chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10066809
N-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)butyl]-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
CID 24825767
N-[7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptyl]-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
CID 25168166
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)(1,8)naphthyridin-4-one, 3,5-dihydro-3-((4-chlorophenyl)methyl)-5-phenyl-
CID 3071980
4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-ethyl-1-methyl-
CID 3077020
4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-1-methyl-5-propyl-
CID 3077021
4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1-(phenylmethyl)-
CID 3077022
4H-Imidazo(4,5-c)quinolin-4-one, 3,5-dihydro-5-butyl-3-methyl-
CID 3077203
1-[3-(4-Chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carbonyl]-4-(2-fluorophenyl)piperazine
CID 16021685

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 71451070) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride is CCn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccccc21.Cl.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is OJCRQNZEZRHPNT-UNTBIKODSA-N. The full InChI is InChI=1S/C24H26ClN5O.ClH/c1-2-29-20-12-6-4-10-18(20)21-22(23(29)31)30(14-16-8-3-5-11-19(16)25)24(27-21)28-13-7-9-17(26)15-28;/h3-6,8,10-12,17H,2,7,9,13-15,26H2,1H3;1H/t17-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 472.42 g/mol, XLogP of 4.42, 4 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-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 71451070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).