6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione

C21H12ClN3O2 — CID 156863089

IUPAC6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
SMILESO=c1c2ccccc2n2c(=O)c3ccccc3nc2n1-c1cccc(Cl)c1
InChIInChI=1S/C21H12ClN3O2/c22-13-6-5-7-14(12-13)24-20(27)16-9-2-4-11-18(16)25-19(26)15-8-1-3-10-17(15)23-21(24)25/h1-12H
InChIKeyBJVZAVRCPYKPRF-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.81
Rot. Bonds1

About 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione

6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione (PubChem CID 156863089) has the molecular formula C21H12ClN3O2 and a molecular weight of 373.80 g/mol. Its IUPAC name is 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione.

Molecular Properties

Compound Name6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
PubChem CID156863089
Molecular FormulaC21H12ClN3O2
Molecular Weight373.80 g/mol
Exact Mass373.06
IUPAC Name6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
SMILESO=c1c2ccccc2n2c(=O)c3ccccc3nc2n1-c1cccc(Cl)c1
InChIInChI=1S/C21H12ClN3O2/c22-13-6-5-7-14(12-13)24-20(27)16-9-2-4-11-18(16)25-19(26)15-8-1-3-10-17(15)23-21(24)25/h1-12H
InChIKeyBJVZAVRCPYKPRF-UHFFFAOYSA-N
XLogP3.81
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863036
6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 163539997
3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one
CID 10758630
6-phenyl-3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863159
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
5-pyridin-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 164671964
2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2994802
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 1328524
6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 132528672

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione?
The IUPAC name of 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione (CID 156863089) is 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione.
What is the SMILES notation for 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione?
The canonical SMILES for 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione is O=c1c2ccccc2n2c(=O)c3ccccc3nc2n1-c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione?
The InChIKey is BJVZAVRCPYKPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3O2/c22-13-6-5-7-14(12-13)24-20(27)16-9-2-4-11-18(16)25-19(26)15-8-1-3-10-17(15)23-21(24)25/h1-12H.
What are the key properties of 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione?
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione has a molecular weight of 373.80 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione is sourced from PubChem (CID 156863089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).