4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione

C19H12ClNO3 — CID 162664235

IUPAC4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione
SMILESO=C1CC(c2ccccc2Cl)C2=C(N1)c1ccccc1C(=O)C2=O
InChIInChI=1S/C19H12ClNO3/c20-14-8-4-3-5-10(14)13-9-15(22)21-17-11-6-1-2-7-12(11)18(23)19(24)16(13)17/h1-8,13H,9H2,(H,21,22)
InChIKeyRDALPVRWYVKZQZ-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.12
Rot. Bonds1

About 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione

4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione (PubChem CID 162664235) has the molecular formula C19H12ClNO3 and a molecular weight of 337.76 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione
PubChem CID162664235
Molecular FormulaC19H12ClNO3
Molecular Weight337.76 g/mol
Exact Mass337.05
IUPAC Name4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione
SMILESO=C1CC(c2ccccc2Cl)C2=C(N1)c1ccccc1C(=O)C2=O
InChIInChI=1S/C19H12ClNO3/c20-14-8-4-3-5-10(14)13-9-15(22)21-17-11-6-1-2-7-12(11)18(23)19(24)16(13)17/h1-8,13H,9H2,(H,21,22)
InChIKeyRDALPVRWYVKZQZ-UHFFFAOYSA-N
XLogP3.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione?
The IUPAC name of 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione (CID 162664235) is 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione.
What is the SMILES notation for 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione?
The canonical SMILES for 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione is O=C1CC(c2ccccc2Cl)C2=C(N1)c1ccccc1C(=O)C2=O.
What is the InChIKey of 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione?
The InChIKey is RDALPVRWYVKZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO3/c20-14-8-4-3-5-10(14)13-9-15(22)21-17-11-6-1-2-7-12(11)18(23)19(24)16(13)17/h1-8,13H,9H2,(H,21,22).
What are the key properties of 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione?
4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione has a molecular weight of 337.76 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione is sourced from PubChem (CID 162664235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).