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

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

2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride (PubChem CID 71458223) has the molecular formula C22H28ClN5O3 and a molecular weight of 445.95 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name	2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
PubChem CID	71458223
Molecular Formula	C22H28ClN5O3
Molecular Weight	445.95 g/mol
Exact Mass	445.19
IUPAC Name	2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride
SMILES	CC(C)=CCn1c(N2CCC[C@@H](N)C2)nc2c3cc(C(=O)O)ccc3n(C)c(=O)c21.Cl
InChI	InChI=1S/C22H27N5O3.ClH/c1-13(2)8-10-27-19-18(24-22(27)26-9-4-5-15(23)12-26)16-11-14(21(29)30)6-7-17(16)25(3)20(19)28;/h6-8,11,15H,4-5,9-10,12,23H2,1-3H3,(H,29,30);1H/t15-;/m1./s1
InChIKey	GZFFPALHOVTPER-XFULWGLBSA-N
XLogP	2.90
TPSA	106.38 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.95
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride?

The IUPAC name of 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) is 2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride.

What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride?

The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride is CC(C)=CCn1c(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]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride?

The InChIKey is GZFFPALHOVTPER-XFULWGLBSA-N. The full InChI is InChI=1S/C22H27N5O3.ClH/c1-13(2)8-10-27-19-18(24-22(27)26-9-4-5-15(23)12-26)16-11-14(21(29)30)6-7-17(16)25(3)20(19)28;/h6-8,11,15H,4-5,9-10,12,23H2,1-3H3,(H,29,30);1H/t15-;/m1./s1.

What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride?

2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride has a molecular weight of 445.95 g/mol, XLogP of 2.90, 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]-5-methyl-3-(3-methylbut-2-enyl)-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 71458223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).