7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one

C21H25NO2 — CID 69038467

IUPAC7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one
SMILESCCCCCC1CC(=O)c2ccc(OCc3ccccc3)nc2C1
InChIInChI=1S/C21H25NO2/c1-2-3-5-10-17-13-19-18(20(23)14-17)11-12-21(22-19)24-15-16-8-6-4-7-9-16/h4,6-9,11-12,17H,2-3,5,10,13-15H2,1H3
InChIKeyTUZHDGXLFVOBGL-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.99
Rot. Bonds7

About 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one

7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one (PubChem CID 69038467) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one
PubChem CID69038467
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one
SMILESCCCCCC1CC(=O)c2ccc(OCc3ccccc3)nc2C1
InChIInChI=1S/C21H25NO2/c1-2-3-5-10-17-13-19-18(20(23)14-17)11-12-21(22-19)24-15-16-8-6-4-7-9-16/h4,6-9,11-12,17H,2-3,5,10,13-15H2,1H3
InChIKeyTUZHDGXLFVOBGL-UHFFFAOYSA-N
XLogP4.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one (CID 69038467) is 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one is CCCCCC1CC(=O)c2ccc(OCc3ccccc3)nc2C1.
What is the InChIKey of 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is TUZHDGXLFVOBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-3-5-10-17-13-19-18(20(23)14-17)11-12-21(22-19)24-15-16-8-6-4-7-9-16/h4,6-9,11-12,17H,2-3,5,10,13-15H2,1H3.
What are the key properties of 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one?
7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 323.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 69038467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).