10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione

C21H12ClN3O2 — CID 132500625

IUPAC10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione
SMILESO=c1c2ccccc2n(-c2ccccc2)n2c(=O)c3ccc(Cl)cc3nc12
InChIInChI=1S/C21H12ClN3O2/c22-13-10-11-15-17(12-13)23-20-19(26)16-8-4-5-9-18(16)24(25(20)21(15)27)14-6-2-1-3-7-14/h1-12H
InChIKeyFFCBXKDIRGDQBV-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.81
Rot. Bonds1

About 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione

10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione (PubChem CID 132500625) has the molecular formula C21H12ClN3O2 and a molecular weight of 373.80 g/mol. Its IUPAC name is 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione.

Molecular Properties

Compound Name10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione
PubChem CID132500625
Molecular FormulaC21H12ClN3O2
Molecular Weight373.80 g/mol
Exact Mass373.06
IUPAC Name10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione
SMILESO=c1c2ccccc2n(-c2ccccc2)n2c(=O)c3ccc(Cl)cc3nc12
InChIInChI=1S/C21H12ClN3O2/c22-13-10-11-15-17(12-13)23-20-19(26)16-8-4-5-9-18(16)24(25(20)21(15)27)14-6-2-1-3-7-14/h1-12H
InChIKeyFFCBXKDIRGDQBV-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'}

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Related Compounds

5-phenylindazolo[3,2-b]quinazolin-7-one
CID 57338719
9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one
CID 86304179
11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one
CID 71722413
8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one
CID 102226681
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863089
3-amino-2-benzyl-7-chloroquinazolin-4-one
CID 6488202
5-tert-butylimino-6-phenylquinazolino[2,3-a]phthalazin-8-one
CID 102100633
3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723176
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
3-amino-7-chloroquinazolin-4-one
CID 82275274
N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 175863163

Frequently Asked Questions

What is the IUPAC name of 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione?
The IUPAC name of 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione (CID 132500625) is 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione.
What is the SMILES notation for 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione?
The canonical SMILES for 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione is O=c1c2ccccc2n(-c2ccccc2)n2c(=O)c3ccc(Cl)cc3nc12.
What is the InChIKey of 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione?
The InChIKey is FFCBXKDIRGDQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3O2/c22-13-10-11-15-17(12-13)23-20-19(26)16-8-4-5-9-18(16)24(25(20)21(15)27)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione?
10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-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 10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione is sourced from PubChem (CID 132500625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).