1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one

C18H12ClNO2 — CID 74520495

IUPAC1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one
SMILESO=C(C=COc1cccc2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO2/c19-15-8-6-13(7-9-15)16(21)10-12-22-17-5-1-3-14-4-2-11-20-18(14)17/h1-12H
InChIKeyCQRNLUQTMAEJOP-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.66
Rot. Bonds4

About 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one

1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one (PubChem CID 74520495) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one
PubChem CID74520495
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one
SMILESO=C(C=COc1cccc2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO2/c19-15-8-6-13(7-9-15)16(21)10-12-22-17-5-1-3-14-4-2-11-20-18(14)17/h1-12H
InChIKeyCQRNLUQTMAEJOP-UHFFFAOYSA-N
XLogP4.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one (CID 74520495) is 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one is O=C(C=COc1cccc2cccnc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one?
The InChIKey is CQRNLUQTMAEJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-15-8-6-13(7-9-15)16(21)10-12-22-17-5-1-3-14-4-2-11-20-18(14)17/h1-12H.
What are the key properties of 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one?
1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one has a molecular weight of 309.75 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one is sourced from PubChem (CID 74520495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).