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

C25H27N5O4 — CID 71449264

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid
SMILESCOc1cccc(Cn2c(N3CCC[C@@H](N)C3)nc3c4cc(C(=O)O)ccc4n(C)c(=O)c32)c1
InChIInChI=1S/C25H27N5O4/c1-28-20-9-8-16(24(32)33)12-19(20)21-22(23(28)31)30(13-15-5-3-7-18(11-15)34-2)25(27-21)29-10-4-6-17(26)14-29/h3,5,7-9,11-12,17H,4,6,10,13-14,26H2,1-2H3,(H,32,33)/t17-/m1/s1
InChIKeyMEIJNMDRIAKSBU-QGZVFWFLSA-N
MW461.52 g/mol
LogP2.57
Rot. Bonds5

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

2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid (PubChem CID 71449264) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid
PubChem CID71449264
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid
SMILESCOc1cccc(Cn2c(N3CCC[C@@H](N)C3)nc3c4cc(C(=O)O)ccc4n(C)c(=O)c32)c1
InChIInChI=1S/C25H27N5O4/c1-28-20-9-8-16(24(32)33)12-19(20)21-22(23(28)31)30(13-15-5-3-7-18(11-15)34-2)25(27-21)29-10-4-6-17(26)14-29/h3,5,7-9,11-12,17H,4,6,10,13-14,26H2,1-2H3,(H,32,33)/t17-/m1/s1
InChIKeyMEIJNMDRIAKSBU-QGZVFWFLSA-N
XLogP2.57
TPSA115.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-Methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10568643
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]-6-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71449277
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-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
CID 71456384
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-(difluoromethoxy)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71456390
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid (CID 71449264) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid is COc1cccc(Cn2c(N3CCC[C@@H](N)C3)nc3c4cc(C(=O)O)ccc4n(C)c(=O)c32)c1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid?
The InChIKey is MEIJNMDRIAKSBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-28-20-9-8-16(24(32)33)12-19(20)21-22(23(28)31)30(13-15-5-3-7-18(11-15)34-2)25(27-21)29-10-4-6-17(26)14-29/h3,5,7-9,11-12,17H,4,6,10,13-14,26H2,1-2H3,(H,32,33)/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid has a molecular weight of 461.52 g/mol, XLogP of 2.57, 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-[(3-methoxyphenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid is sourced from PubChem (CID 71449264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).