1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione

C19H10ClNO2 — CID 50994722

IUPAC1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccnc2-c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClNO2/c20-12-7-5-11(6-8-12)17-16-15(9-10-21-17)18(22)13-3-1-2-4-14(13)19(16)23/h1-10H
InChIKeyDQCOROWWYLFIQK-UHFFFAOYSA-N
MW319.75 g/mol
LogP4.18
Rot. Bonds1

About 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione

1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione (PubChem CID 50994722) has the molecular formula C19H10ClNO2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione
PubChem CID50994722
Molecular FormulaC19H10ClNO2
Molecular Weight319.75 g/mol
Exact Mass319.04
IUPAC Name1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccnc2-c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClNO2/c20-12-7-5-11(6-8-12)17-16-15(9-10-21-17)18(22)13-3-1-2-4-14(13)19(16)23/h1-10H
InChIKeyDQCOROWWYLFIQK-UHFFFAOYSA-N
XLogP4.18
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)phenyl]fluoren-9-one
CID 130380105
1-chloroindeno[2,1-c]pyridin-9-one
CID 53485893
3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione
CID 138484311
1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one
CID 171734652
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
4-(4-phenylphenyl)fluoren-9-one
CID 129258983
2-(4-chlorophenyl)-3-fluoropyridine
CID 66678603
1-(1,3-oxazol-2-yl)anthracene-9,10-dione
CID 57161600
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57076120
4-phenylquinoline-5,8-dione
CID 10799743
2-(4-chlorophenyl)-3-methylsulfanylpyridine
CID 19850805

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione?
The IUPAC name of 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione (CID 50994722) is 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione.
What is the SMILES notation for 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione?
The canonical SMILES for 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione is O=C1c2ccccc2C(=O)c2c1ccnc2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione?
The InChIKey is DQCOROWWYLFIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClNO2/c20-12-7-5-11(6-8-12)17-16-15(9-10-21-17)18(22)13-3-1-2-4-14(13)19(16)23/h1-10H.
What are the key properties of 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione?
1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione has a molecular weight of 319.75 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione is sourced from PubChem (CID 50994722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).