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'}

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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).