6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride

C23H28ClN3O4 — CID 71285569

IUPAC6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride
SMILESCN1CCC2(CCN(c3ccc4c(c3)CCCc3c-4[nH]c(=O)c(C(=O)O)c3O)C2)C1.Cl
InChIInChI=1S/C23H27N3O4.ClH/c1-25-9-7-23(12-25)8-10-26(13-23)15-5-6-16-14(11-15)3-2-4-17-19(16)24-21(28)18(20(17)27)22(29)30;/h5-6,11H,2-4,7-10,12-13H2,1H3,(H,29,30)(H2,24,27,28);1H
InChIKeyOUESBVREDCETKL-UHFFFAOYSA-N
MW445.95 g/mol
LogP2.89
Rot. Bonds2

About 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride

6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride (PubChem CID 71285569) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride
PubChem CID71285569
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC Name6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride
SMILESCN1CCC2(CCN(c3ccc4c(c3)CCCc3c-4[nH]c(=O)c(C(=O)O)c3O)C2)C1.Cl
InChIInChI=1S/C23H27N3O4.ClH/c1-25-9-7-23(12-25)8-10-26(13-23)15-5-6-16-14(11-15)3-2-4-17-19(16)24-21(28)18(20(17)27)22(29)30;/h5-6,11H,2-4,7-10,12-13H2,1H3,(H,29,30)(H2,24,27,28);1H
InChIKeyOUESBVREDCETKL-UHFFFAOYSA-N
XLogP2.89
TPSA96.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride?
The IUPAC name of 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride (CID 71285569) is 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride?
The canonical SMILES for 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride is CN1CCC2(CCN(c3ccc4c(c3)CCCc3c-4[nH]c(=O)c(C(=O)O)c3O)C2)C1.Cl.
What is the InChIKey of 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride?
The InChIKey is OUESBVREDCETKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4.ClH/c1-25-9-7-23(12-25)8-10-26(13-23)15-5-6-16-14(11-15)3-2-4-17-19(16)24-21(28)18(20(17)27)22(29)30;/h5-6,11H,2-4,7-10,12-13H2,1H3,(H,29,30)(H2,24,27,28);1H.
What are the key properties of 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride?
6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride has a molecular weight of 445.95 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-13-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 71285569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).