6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride

C19H25ClN4O3 — CID 154885799

IUPAC6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
SMILESCl.O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC2(CCNCC2)CC1
InChIInChI=1S/C19H24N4O3.ClH/c24-16-17(25)22-15-12-13(2-3-14(15)21-16)18(26)23-10-1-4-19(7-11-23)5-8-20-9-6-19;/h2-3,12,20H,1,4-11H2,(H,21,24)(H,22,25);1H
InChIKeyZHPLOUPEKMONAG-UHFFFAOYSA-N
MW392.89 g/mol
LogP1.63
Rot. Bonds1

About 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride

6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride (PubChem CID 154885799) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride.

Molecular Properties

Compound Name6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
PubChem CID154885799
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
SMILESCl.O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC2(CCNCC2)CC1
InChIInChI=1S/C19H24N4O3.ClH/c24-16-17(25)22-15-12-13(2-3-14(15)21-16)18(26)23-10-1-4-19(7-11-23)5-8-20-9-6-19;/h2-3,12,20H,1,4-11H2,(H,21,24)(H,22,25);1H
InChIKeyZHPLOUPEKMONAG-UHFFFAOYSA-N
XLogP1.63
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone
CID 119073263
(3S)-3-(cyclopropylmethyl)-1-(2,3-dioxo-1,4-dihydroquinoxaline-6-carbonyl)piperidine-3-carboxylic acid
CID 97130223
5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 154891284
6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70771275
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 119047693
6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
5-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pentanoic acid
CID 19383074
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 23474515
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705

Frequently Asked Questions

What is the IUPAC name of 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride?
The IUPAC name of 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride (CID 154885799) is 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride.
What is the SMILES notation for 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride?
The canonical SMILES for 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride is Cl.O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC2(CCNCC2)CC1.
What is the InChIKey of 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride?
The InChIKey is ZHPLOUPEKMONAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.ClH/c24-16-17(25)22-15-12-13(2-3-14(15)21-16)18(26)23-10-1-4-19(7-11-23)5-8-20-9-6-19;/h2-3,12,20H,1,4-11H2,(H,21,24)(H,22,25);1H.
What are the key properties of 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride?
6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride is sourced from PubChem (CID 154885799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).