7-chloro-1-pentyl-2,3-dihydroquinolin-4-one

C14H18ClNO — CID 67834953

IUPAC7-chloro-1-pentyl-2,3-dihydroquinolin-4-one
SMILESCCCCCN1CCC(=O)c2ccc(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-2-3-4-8-16-9-7-14(17)12-6-5-11(15)10-13(12)16/h5-6,10H,2-4,7-9H2,1H3
InChIKeyOHAAOCKFDYAHDX-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.92
Rot. Bonds4

About 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one

7-chloro-1-pentyl-2,3-dihydroquinolin-4-one (PubChem CID 67834953) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name7-chloro-1-pentyl-2,3-dihydroquinolin-4-one
PubChem CID67834953
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name7-chloro-1-pentyl-2,3-dihydroquinolin-4-one
SMILESCCCCCN1CCC(=O)c2ccc(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-2-3-4-8-16-9-7-14(17)12-6-5-11(15)10-13(12)16/h5-6,10H,2-4,7-9H2,1H3
InChIKeyOHAAOCKFDYAHDX-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-1-pentyl-2,3-dihydroquinolin-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

5-(3-aminopropyl)-7-chloro-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 84640561
1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one
CID 11218977
azane;but-2-enedioic acid;6-chloro-1-propyl-2,3-dihydroindole
CID 70160075
1-(2-aminoethyl)-7-chloro-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84635046
methyl 1-butyl-8-chloro-2,5-dioxo-3,4-dihydro-1-benzazepine-4-carboxylate
CID 54245367
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1-butyl-2,3-dihydroindole
CID 4167209
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
1-(2,2-diethoxyethyl)-2,3-dihydroquinolin-4-one
CID 114459505
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate
CID 88797368

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one (CID 67834953) is 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one is CCCCCN1CCC(=O)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one?
The InChIKey is OHAAOCKFDYAHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-3-4-8-16-9-7-14(17)12-6-5-11(15)10-13(12)16/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one?
7-chloro-1-pentyl-2,3-dihydroquinolin-4-one has a molecular weight of 251.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-pentyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 67834953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).