2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

C16H15ClN4O2 — CID 155959797

IUPAC2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(C(=O)c1cc(Cl)c3ccccc3n1)C2
InChIInChI=1S/C16H15ClN4O2/c1-20-15(23)18-7-16(20)8-21(9-16)14(22)13-6-11(17)10-4-2-3-5-12(10)19-13/h2-6H,7-9H2,1H3,(H,18,23)
InChIKeyBPMDBEXNNXFSOE-UHFFFAOYSA-N
MW330.78 g/mol
LogP1.74
Rot. Bonds1

About 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 155959797) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID155959797
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(C(=O)c1cc(Cl)c3ccccc3n1)C2
InChIInChI=1S/C16H15ClN4O2/c1-20-15(23)18-7-16(20)8-21(9-16)14(22)13-6-11(17)10-4-2-3-5-12(10)19-13/h2-6H,7-9H2,1H3,(H,18,23)
InChIKeyBPMDBEXNNXFSOE-UHFFFAOYSA-N
XLogP1.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
CID 167993187
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408574
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
(4-chloroquinolin-2-yl)-(2-ethylmorpholin-4-yl)methanone
CID 63375773
4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 83017398
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 146044587
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone
CID 103358198
2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 146040645

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (CID 155959797) is 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is CN1C(=O)NCC12CN(C(=O)c1cc(Cl)c3ccccc3n1)C2.
What is the InChIKey of 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is BPMDBEXNNXFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-20-15(23)18-7-16(20)8-21(9-16)14(22)13-6-11(17)10-4-2-3-5-12(10)19-13/h2-6H,7-9H2,1H3,(H,18,23).
What are the key properties of 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 330.78 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 155959797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).