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

C23H24Cl2FN5O — CID 71458240

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(F)cc21
InChIInChI=1S/C23H23ClFN5O.ClH/c1-28-19-11-15(25)8-9-17(19)20-21(22(28)31)30(12-14-5-2-3-7-18(14)24)23(27-20)29-10-4-6-16(26)13-29;/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3;1H/t16-;/m1./s1
InChIKeyOAXWKELEUGNHGJ-PKLMIRHRSA-N
MW476.38 g/mol
LogP4.08
Rot. Bonds3

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

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 71458240) has the molecular formula C23H24Cl2FN5O and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID71458240
Molecular FormulaC23H24Cl2FN5O
Molecular Weight476.38 g/mol
Exact Mass475.13
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(F)cc21
InChIInChI=1S/C23H23ClFN5O.ClH/c1-28-19-11-15(25)8-9-17(19)20-21(22(28)31)30(12-14-5-2-3-7-18(14)24)23(27-20)29-10-4-6-16(26)13-29;/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3;1H/t16-;/m1./s1
InChIKeyOAXWKELEUGNHGJ-PKLMIRHRSA-N
XLogP4.08
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-1,2-dimethylpurin-6-one
CID 142960613
methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-6-carboxylate;hydrochloride
CID 71460093
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6,8-difluoro-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylic acid;ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6,8-difluoro-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylate;dihydrochloride
CID 158740745
2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one
CID 143054314
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-6-(1,3-oxazol-5-yl)imidazo[4,5-c]pyridin-4-one
CID 11750998
2-[(3S)-3-aminopiperidin-1-yl]-3-benzyl-5,6-dimethylimidazo[4,5-d]pyridazine-4,7-dione;dihydrochloride
CID 11339674
8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 11408068
[(3R)-1-[5-[(2-chlorophenyl)methyl]-8-methyl-7,12-dioxo-13-oxa-3,5,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),3,10,15-pentaen-4-yl]piperidin-3-yl]carbamic acid
CID 69439318
8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione
CID 59990719
3-[(2-aminophenyl)methyl]-2-[(3R)-3-aminopiperidin-1-yl]-6,8-dichloroquinazolin-4-one
CID 70341723
2-[(3R)-3-aminopiperidin-1-yl]-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 57425454
2-[8-(3-aminopiperidin-1-yl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-1-yl]-N-pyridin-2-ylacetamide
CID 22508632

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 71458240) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(F)cc21.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is OAXWKELEUGNHGJ-PKLMIRHRSA-N. The full InChI is InChI=1S/C23H23ClFN5O.ClH/c1-28-19-11-15(25)8-9-17(19)20-21(22(28)31)30(12-14-5-2-3-7-18(14)24)23(27-20)29-10-4-6-16(26)13-29;/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3;1H/t16-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 476.38 g/mol, XLogP of 4.08, 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]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 71458240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).