2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol

C25H17NO — CID 140595995

IUPAC2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3c4ccccc4cc4ccccc34)nc12
InChIInChI=1S/C25H17NO/c27-24-11-5-8-17-12-13-20(26-25(17)24)14-15-23-21-9-3-1-6-18(21)16-19-7-2-4-10-22(19)23/h1-16,27H/b15-14+
InChIKeyIJXGUBDEUBBSIT-CCEZHUSRSA-N
MW347.42 g/mol
LogP6.42
Rot. Bonds2

About 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol

2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol (PubChem CID 140595995) has the molecular formula C25H17NO and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol
PubChem CID140595995
Molecular FormulaC25H17NO
Molecular Weight347.42 g/mol
Exact Mass347.13
IUPAC Name2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3c4ccccc4cc4ccccc34)nc12
InChIInChI=1S/C25H17NO/c27-24-11-5-8-17-12-13-20(26-25(17)24)14-15-23-21-9-3-1-6-18(21)16-19-7-2-4-10-22(19)23/h1-16,27H/b15-14+
InChIKeyIJXGUBDEUBBSIT-CCEZHUSRSA-N
XLogP6.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol (CID 140595995) is 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol is Oc1cccc2ccc(/C=C/c3c4ccccc4cc4ccccc34)nc12.
What is the InChIKey of 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol?
The InChIKey is IJXGUBDEUBBSIT-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H17NO/c27-24-11-5-8-17-12-13-20(26-25(17)24)14-15-23-21-9-3-1-6-18(21)16-19-7-2-4-10-22(19)23/h1-16,27H/b15-14+.
What are the key properties of 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol?
2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol has a molecular weight of 347.42 g/mol, XLogP of 6.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-ol is sourced from PubChem (CID 140595995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).