(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one

C14H19NO — CID 53304941

IUPAC(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
SMILESCCCCC[C@@H]1CC(=O)c2ccccc2N1
InChIInChI=1S/C14H19NO/c1-2-3-4-7-11-10-14(16)12-8-5-6-9-13(12)15-11/h5-6,8-9,11,15H,2-4,7,10H2,1H3/t11-/m1/s1
InChIKeyGWCSSQNMJGWEIN-LLVKDONJSA-N
MW217.31 g/mol
LogP3.63
Rot. Bonds4

About (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one

(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 53304941) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID53304941
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
SMILESCCCCC[C@@H]1CC(=O)c2ccccc2N1
InChIInChI=1S/C14H19NO/c1-2-3-4-7-11-10-14(16)12-8-5-6-9-13(12)15-11/h5-6,8-9,11,15H,2-4,7,10H2,1H3/t11-/m1/s1
InChIKeyGWCSSQNMJGWEIN-LLVKDONJSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-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

2-nonyl-2,3-dihydro-1H-indole
CID 65041926
(2R)-2-octadecyl-1,2-dihydroindol-3-one
CID 162846310
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
(2S)-2-undecyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 70486415
2-undecyl-2,3-dihydro-1H-benzo[de]quinoline
CID 57090472
2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
CID 68879518
2-[(2R)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
CID 71035225
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one
CID 134861677
9-nonyl-9H-fluorene
CID 22568532
(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 70486702
(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 70487224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one (CID 53304941) is (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one is CCCCC[C@@H]1CC(=O)c2ccccc2N1.
What is the InChIKey of (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is GWCSSQNMJGWEIN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-7-11-10-14(16)12-8-5-6-9-13(12)15-11/h5-6,8-9,11,15H,2-4,7,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one?
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 217.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 53304941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).