4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one

C18H18N4O3 — CID 94570308

IUPAC4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1noc([C@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1
InChIInChI=1S/C18H18N4O3/c1-11-19-17(25-21-11)12-5-4-8-22(10-12)18(24)14-9-16(23)20-15-7-3-2-6-13(14)15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyHJDXUISUCRSCMT-LBPRGKRZSA-N
MW338.37 g/mol
LogP2.24
Rot. Bonds2

About 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one

4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 94570308) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID94570308
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1noc([C@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1
InChIInChI=1S/C18H18N4O3/c1-11-19-17(25-21-11)12-5-4-8-22(10-12)18(24)14-9-16(23)20-15-7-3-2-6-13(14)15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyHJDXUISUCRSCMT-LBPRGKRZSA-N
XLogP2.24
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one with MolForge

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Related Compounds

4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 56819188
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one
CID 122260938
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
[2-(difluoromethoxy)phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51087839
4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 42947512
4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one
CID 170506971
(2,5-dichlorothiophen-3-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526769
[2-(dimethylamino)-3-pyridinyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94570501

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one (CID 94570308) is 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one is Cc1noc([C@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1.
What is the InChIKey of 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is HJDXUISUCRSCMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-19-17(25-21-11)12-5-4-8-22(10-12)18(24)14-9-16(23)20-15-7-3-2-6-13(14)15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one?
4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 338.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 94570308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).