1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one

C22H22N2O2 — CID 67223930

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one
SMILESO=C(CCCOc1cccc2ncccc12)N1CCCc2ccccc21
InChIInChI=1S/C22H22N2O2/c25-22(24-15-5-8-17-7-1-2-11-20(17)24)13-6-16-26-21-12-3-10-19-18(21)9-4-14-23-19/h1-4,7,9-12,14H,5-6,8,13,15-16H2
InChIKeyJJKBMDRWFFPRPU-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.37
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one (PubChem CID 67223930) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one
PubChem CID67223930
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one
SMILESO=C(CCCOc1cccc2ncccc12)N1CCCc2ccccc21
InChIInChI=1S/C22H22N2O2/c25-22(24-15-5-8-17-7-1-2-11-20(17)24)13-6-16-26-21-12-3-10-19-18(21)9-4-14-23-19/h1-4,7,9-12,14H,5-6,8,13,15-16H2
InChIKeyJJKBMDRWFFPRPU-UHFFFAOYSA-N
XLogP4.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.37
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 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one (CID 67223930) is 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one is O=C(CCCOc1cccc2ncccc12)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one?
The InChIKey is JJKBMDRWFFPRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(24-15-5-8-17-7-1-2-11-20(17)24)13-6-16-26-21-12-3-10-19-18(21)9-4-14-23-19/h1-4,7,9-12,14H,5-6,8,13,15-16H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one has a molecular weight of 346.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one is sourced from PubChem (CID 67223930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).