2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione

C15H6Br2N2O2 — CID 4576960

IUPAC2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(Br)ccc2-n2c1nc1ccc(Br)cc1c2=O
InChIInChI=1S/C15H6Br2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
InChIKeyKQUWJEXXTUZLAF-UHFFFAOYSA-N
MW406.03 g/mol
LogP3.46
Rot. Bonds

About 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione

2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 4576960) has the molecular formula C15H6Br2N2O2 and a molecular weight of 406.03 g/mol. Its IUPAC name is 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione
PubChem CID4576960
Molecular FormulaC15H6Br2N2O2
Molecular Weight406.03 g/mol
Exact Mass403.88
IUPAC Name2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(Br)ccc2-n2c1nc1ccc(Br)cc1c2=O
InChIInChI=1S/C15H6Br2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
InChIKeyKQUWJEXXTUZLAF-UHFFFAOYSA-N
XLogP3.46
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.03
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione
CID 86003970
2-bromo-8-fluoroindolo[2,1-b]quinazoline-6,12-dione;8-fluoro-2-piperidin-1-ylindolo[2,1-b]quinazoline-6,12-dione
CID 162220321
2-bromoindolo[1,2-a]benzimidazol-11-one
CID 146638668
8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 169263728
8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 73348272
6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde
CID 166441954
2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 158789187
2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile
CID 169263878
(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid
CID 67774120
14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
CID 505836
2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 123199900
10-bromo-6-(4-methylphenyl)quinazolino[4,3-b]quinazolin-8-one
CID 164913475

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione (CID 4576960) is 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione is O=C1c2cc(Br)ccc2-n2c1nc1ccc(Br)cc1c2=O.
What is the InChIKey of 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is KQUWJEXXTUZLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Br2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H.
What are the key properties of 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione?
2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 406.03 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 4576960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).