4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one

C17H18FN3O2 — CID 146124397

IUPAC4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)c1cc(F)cc2cccnc12
InChIInChI=1S/C17H18FN3O2/c1-10(2)15-16(22)20-6-7-21(15)17(23)13-9-12(18)8-11-4-3-5-19-14(11)13/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,22)
InChIKeyNTBOEABDSFKSJV-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.97
Rot. Bonds2

About 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one

4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one (PubChem CID 146124397) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one
PubChem CID146124397
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)c1cc(F)cc2cccnc12
InChIInChI=1S/C17H18FN3O2/c1-10(2)15-16(22)20-6-7-21(15)17(23)13-9-12(18)8-11-4-3-5-19-14(11)13/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,22)
InChIKeyNTBOEABDSFKSJV-UHFFFAOYSA-N
XLogP1.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-fluoroquinolin-8-yl)-(3-methylazetidin-1-yl)methanone
CID 166218123
6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 97003666
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
(3S,4S)-1-(6-fluoroquinoline-8-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 167880274
3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
CID 56716843
4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
CID 166199318
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
4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
CID 120526082
3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
CID 120536757
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 95215815

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one (CID 146124397) is 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one is CC(C)C1C(=O)NCCN1C(=O)c1cc(F)cc2cccnc12.
What is the InChIKey of 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one?
The InChIKey is NTBOEABDSFKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-10(2)15-16(22)20-6-7-21(15)17(23)13-9-12(18)8-11-4-3-5-19-14(11)13/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,22).
What are the key properties of 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one?
4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one has a molecular weight of 315.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 146124397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).