1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one

C23H16N2O3 — CID 139642586

IUPAC1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(O)c2ncccc12)C=Cc1ccc(O)c2ncccc12
InChIInChI=1S/C23H16N2O3/c26-17(9-5-15-7-11-20(27)22-18(15)3-1-13-24-22)10-6-16-8-12-21(28)23-19(16)4-2-14-25-23/h1-14,27-28H
InChIKeyRCTQZXRKEKCMPO-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.49
Rot. Bonds4

About 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one

1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one (PubChem CID 139642586) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one
PubChem CID139642586
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(O)c2ncccc12)C=Cc1ccc(O)c2ncccc12
InChIInChI=1S/C23H16N2O3/c26-17(9-5-15-7-11-20(27)22-18(15)3-1-13-24-22)10-6-16-8-12-21(28)23-19(16)4-2-14-25-23/h1-14,27-28H
InChIKeyRCTQZXRKEKCMPO-UHFFFAOYSA-N
XLogP4.49
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one?
The IUPAC name of 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one (CID 139642586) is 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one.
What is the SMILES notation for 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one?
The canonical SMILES for 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one is O=C(C=Cc1ccc(O)c2ncccc12)C=Cc1ccc(O)c2ncccc12.
What is the InChIKey of 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one?
The InChIKey is RCTQZXRKEKCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-17(9-5-15-7-11-20(27)22-18(15)3-1-13-24-22)10-6-16-8-12-21(28)23-19(16)4-2-14-25-23/h1-14,27-28H.
What are the key properties of 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one?
1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one has a molecular weight of 368.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 139642586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).