7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one

C20H24N4O2 — CID 56738764

IUPAC7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCN1CCCNC(=O)C12CCN(C(=O)c1cccc3cccnc13)CC2
InChIInChI=1S/C20H24N4O2/c1-23-12-4-11-22-19(26)20(23)8-13-24(14-9-20)18(25)16-7-2-5-15-6-3-10-21-17(15)16/h2-3,5-7,10H,4,8-9,11-14H2,1H3,(H,22,26)
InChIKeyPHPRJFPMNNQSHE-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.66
Rot. Bonds1

About 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one

7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 56738764) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID56738764
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCN1CCCNC(=O)C12CCN(C(=O)c1cccc3cccnc13)CC2
InChIInChI=1S/C20H24N4O2/c1-23-12-4-11-22-19(26)20(23)8-13-24(14-9-20)18(25)16-7-2-5-15-6-3-10-21-17(15)16/h2-3,5-7,10H,4,8-9,11-14H2,1H3,(H,22,26)
InChIKeyPHPRJFPMNNQSHE-UHFFFAOYSA-N
XLogP1.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 72839296
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
7-methyl-3-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 70708559
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
7-methyl-3-(3-prop-2-enoxybenzoyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743339
3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56746464
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119564484
3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56753419
CID 110211769
CID 110211769
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 56738764) is 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one is CN1CCCNC(=O)C12CCN(C(=O)c1cccc3cccnc13)CC2.
What is the InChIKey of 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is PHPRJFPMNNQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23-12-4-11-22-19(26)20(23)8-13-24(14-9-20)18(25)16-7-2-5-15-6-3-10-21-17(15)16/h2-3,5-7,10H,4,8-9,11-14H2,1H3,(H,22,26).
What are the key properties of 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 352.44 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 56738764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).