6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one

C21H16N4O2 — CID 137314423

IUPAC6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one
SMILESO=C1C=C(/N=N/c2c3ccccc3n3c(=O)c4ccccc4[nH]c23)CCC1
InChIInChI=1S/C21H16N4O2/c26-14-7-5-6-13(12-14)23-24-19-16-9-2-4-11-18(16)25-20(19)22-17-10-3-1-8-15(17)21(25)27/h1-4,8-12,22H,5-7H2/b24-23+
InChIKeyNAPXRDIHOITZOE-WCWDXBQESA-N
MW356.38 g/mol
LogP4.65
Rot. Bonds2

About 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one

6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one (PubChem CID 137314423) has the molecular formula C21H16N4O2 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one
PubChem CID137314423
Molecular FormulaC21H16N4O2
Molecular Weight356.38 g/mol
Exact Mass356.13
IUPAC Name6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one
SMILESO=C1C=C(/N=N/c2c3ccccc3n3c(=O)c4ccccc4[nH]c23)CCC1
InChIInChI=1S/C21H16N4O2/c26-14-7-5-6-13(12-14)23-24-19-16-9-2-4-11-18(16)25-20(19)22-17-10-3-1-8-15(17)21(25)27/h1-4,8-12,22H,5-7H2/b24-23+
InChIKeyNAPXRDIHOITZOE-WCWDXBQESA-N
XLogP4.65
TPSA79.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

8-bromo-6-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]diazenyl]-5H-indolo[2,1-b]quinazolin-12-one
CID 137314364
3-methyl-1-oxo-2-(1H-1,2,4-triazol-5-yldiazenyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 171978285
2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
CID 68631115
3-(dimethylamino)-1H-quinazoline-2,4-dione
CID 3058904
3-methyl-10H-imidazo[2,1-b]quinazolin-5-one
CID 10703152
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175
12-(4-fluorophenyl)-5H-indolo[1,2-c]quinazolin-6-one
CID 162408572
10H-acridin-9-one
CID 22753806
3-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1H-quinazoline-2,4-dione
CID 3030727
3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 807484
2-[(4-cyano-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazol-2-yl)methyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 10721997

Frequently Asked Questions

What is the IUPAC name of 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one?
The IUPAC name of 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one (CID 137314423) is 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one is O=C1C=C(/N=N/c2c3ccccc3n3c(=O)c4ccccc4[nH]c23)CCC1.
What is the InChIKey of 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one?
The InChIKey is NAPXRDIHOITZOE-WCWDXBQESA-N. The full InChI is InChI=1S/C21H16N4O2/c26-14-7-5-6-13(12-14)23-24-19-16-9-2-4-11-18(16)25-20(19)22-17-10-3-1-8-15(17)21(25)27/h1-4,8-12,22H,5-7H2/b24-23+.
What are the key properties of 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one?
6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one has a molecular weight of 356.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-oxocyclohexen-1-yl)diazenyl]-5H-indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 137314423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).