1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H25N5O2 — CID 72941343

IUPAC1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(C(=O)c1cccc3nccnc13)CCN2C
InChIInChI=1S/C20H25N5O2/c1-23-11-8-20(7-6-17(23)26)14-25(13-12-24(20)2)19(27)15-4-3-5-16-18(15)22-10-9-21-16/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKeyFWGOZQDXDGUGSC-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.40
Rot. Bonds1

About 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72941343) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72941343
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(C(=O)c1cccc3nccnc13)CCN2C
InChIInChI=1S/C20H25N5O2/c1-23-11-8-20(7-6-17(23)26)14-25(13-12-24(20)2)19(27)15-4-3-5-16-18(15)22-10-9-21-16/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKeyFWGOZQDXDGUGSC-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,10-dimethyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72914414
4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72899051
(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201812
4-(5-chloropyridine-3-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72890290
2-(3-methoxypropyl)-8-(quinoxaline-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756988
4-(5-ethoxyfuran-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72850908
(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 125161889
(6S)-1,10-dimethyl-4-(4-pyrazol-1-ylbutanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136319
(6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201864
(6S)-1,10-dimethyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97204101
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
(6R)-1,10-dimethyl-4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97193624

Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72941343) is 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CN(C(=O)c1cccc3nccnc13)CCN2C.
What is the InChIKey of 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is FWGOZQDXDGUGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23-11-8-20(7-6-17(23)26)14-25(13-12-24(20)2)19(27)15-4-3-5-16-18(15)22-10-9-21-16/h3-5,9-10H,6-8,11-14H2,1-2H3.
What are the key properties of 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 367.45 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72941343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).