2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one

C17H19N3O3 — CID 95215815

IUPAC2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCC(C)[C@H]1C(=O)NCCN1C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H19N3O3/c1-10(2)15-16(22)18-7-8-20(15)17(23)13-9-14(21)11-5-3-4-6-12(11)19-13/h3-6,9-10,15H,7-8H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1
InChIKeyHHMILCSYAJPCIW-HNNXBMFYSA-N
MW313.36 g/mol
LogP1.12
Rot. Bonds2

About 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one

2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 95215815) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
PubChem CID95215815
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCC(C)[C@H]1C(=O)NCCN1C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H19N3O3/c1-10(2)15-16(22)18-7-8-20(15)17(23)13-9-14(21)11-5-3-4-6-12(11)19-13/h3-6,9-10,15H,7-8H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1
InChIKeyHHMILCSYAJPCIW-HNNXBMFYSA-N
XLogP1.12
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one with MolForge

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Related Compounds

4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one
CID 63606060
3-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 110873324
methyl 3-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]benzoate
CID 95316463
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
CID 62897216
2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one
CID 122137750
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 124834746
2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one (CID 95215815) is 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one is CC(C)[C@H]1C(=O)NCCN1C(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is HHMILCSYAJPCIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10(2)15-16(22)18-7-8-20(15)17(23)13-9-14(21)11-5-3-4-6-12(11)19-13/h3-6,9-10,15H,7-8H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one?
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 313.36 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 95215815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).