1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one

C26H34N2O2 — CID 174729776

IUPAC1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(CCCCCCC3CNCCO3)ccc2N1Cc1ccccc1
InChIInChI=1S/C26H34N2O2/c29-26-15-13-23-18-21(8-4-1-2-7-11-24-19-27-16-17-30-24)12-14-25(23)28(26)20-22-9-5-3-6-10-22/h3,5-6,9-10,12,14,18,24,27H,1-2,4,7-8,11,13,15-17,19-20H2
InChIKeyCCLMFMHSFCINNI-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.65
Rot. Bonds9

About 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one

1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one (PubChem CID 174729776) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one
PubChem CID174729776
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(CCCCCCC3CNCCO3)ccc2N1Cc1ccccc1
InChIInChI=1S/C26H34N2O2/c29-26-15-13-23-18-21(8-4-1-2-7-11-24-19-27-16-17-30-24)12-14-25(23)28(26)20-22-9-5-3-6-10-22/h3,5-6,9-10,12,14,18,24,27H,1-2,4,7-8,11,13,15-17,19-20H2
InChIKeyCCLMFMHSFCINNI-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.65
H-Bond Donors ≤ 51
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 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one (CID 174729776) is 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(CCCCCCC3CNCCO3)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one?
The InChIKey is CCLMFMHSFCINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c29-26-15-13-23-18-21(8-4-1-2-7-11-24-19-27-16-17-30-24)12-14-25(23)28(26)20-22-9-5-3-6-10-22/h3,5-6,9-10,12,14,18,24,27H,1-2,4,7-8,11,13,15-17,19-20H2.
What are the key properties of 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one?
1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one has a molecular weight of 406.57 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(6-morpholin-2-ylhexyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 174729776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).