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

C25H28ClN5O4 — CID 71456384

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
SMILESCOc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2c3cc(C(=O)O)ccc3n(C)c(=O)c21.Cl
InChIInChI=1S/C25H27N5O4.ClH/c1-28-19-10-9-15(24(32)33)12-18(19)21-22(23(28)31)30(13-16-6-3-4-8-20(16)34-2)25(27-21)29-11-5-7-17(26)14-29;/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3,(H,32,33);1H/t17-;/m1./s1
InChIKeyIJGKOMGXIMRKJP-UNTBIKODSA-N
MW497.98 g/mol
LogP2.99
Rot. Bonds5

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

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride (PubChem CID 71456384) has the molecular formula C25H28ClN5O4 and a molecular weight of 497.98 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
PubChem CID71456384
Molecular FormulaC25H28ClN5O4
Molecular Weight497.98 g/mol
Exact Mass497.18
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
SMILESCOc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2c3cc(C(=O)O)ccc3n(C)c(=O)c21.Cl
InChIInChI=1S/C25H27N5O4.ClH/c1-28-19-10-9-15(24(32)33)12-18(19)21-22(23(28)31)30(13-16-6-3-4-8-20(16)34-2)25(27-21)29-11-5-7-17(26)14-29;/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3,(H,32,33);1H/t17-;/m1./s1
InChIKeyIJGKOMGXIMRKJP-UNTBIKODSA-N
XLogP2.99
TPSA115.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-fluorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71449261
2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71449263
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-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
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71451063
2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71452891
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71456399
2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71458223
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2,5-dichlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71460083
methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylate;hydrochloride
CID 71460087

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride (CID 71456384) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride is COc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2c3cc(C(=O)O)ccc3n(C)c(=O)c21.Cl.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride?
The InChIKey is IJGKOMGXIMRKJP-UNTBIKODSA-N. The full InChI is InChI=1S/C25H27N5O4.ClH/c1-28-19-10-9-15(24(32)33)12-18(19)21-22(23(28)31)30(13-16-6-3-4-8-20(16)34-2)25(27-21)29-11-5-7-17(26)14-29;/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3,(H,32,33);1H/t17-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride has a molecular weight of 497.98 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 71456384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).