1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride

C19H16ClNO2 — CID 154697558

IUPAC1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)c2c1cccc2C1=CCNCC1
InChIInChI=1S/C19H15NO2.ClH/c21-18-14-4-1-2-5-15(14)19(22)17-13(6-3-7-16(17)18)12-8-10-20-11-9-12;/h1-8,20H,9-11H2;1H
InChIKeyFCTPSZXVISSJCK-UHFFFAOYSA-N
MW325.79 g/mol
LogP3.26
Rot. Bonds1

About 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride

1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride (PubChem CID 154697558) has the molecular formula C19H16ClNO2 and a molecular weight of 325.79 g/mol. Its IUPAC name is 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride.

Molecular Properties

Compound Name1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride
PubChem CID154697558
Molecular FormulaC19H16ClNO2
Molecular Weight325.79 g/mol
Exact Mass325.09
IUPAC Name1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)c2c1cccc2C1=CCNCC1
InChIInChI=1S/C19H15NO2.ClH/c21-18-14-4-1-2-5-15(14)19(22)17-13(6-3-7-16(17)18)12-8-10-20-11-9-12;/h1-8,20H,9-11H2;1H
InChIKeyFCTPSZXVISSJCK-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride?
The IUPAC name of 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride (CID 154697558) is 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride.
What is the SMILES notation for 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride?
The canonical SMILES for 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride is Cl.O=C1c2ccccc2C(=O)c2c1cccc2C1=CCNCC1.
What is the InChIKey of 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride?
The InChIKey is FCTPSZXVISSJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2.ClH/c21-18-14-4-1-2-5-15(14)19(22)17-13(6-3-7-16(17)18)12-8-10-20-11-9-12;/h1-8,20H,9-11H2;1H.
What are the key properties of 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride?
1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride has a molecular weight of 325.79 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride is sourced from PubChem (CID 154697558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).