3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one

C22H23N5O2 — CID 135839900

IUPAC3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
SMILESCCn1c(/N=N/c2c(O)n(CC(C)C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C22H23N5O2/c1-4-26-20(28)15-9-5-7-11-17(15)23-22(26)25-24-19-16-10-6-8-12-18(16)27(21(19)29)13-14(2)3/h5-12,14,29H,4,13H2,1-3H3/b25-24+
InChIKeyKHAXRBXWWODOGJ-OCOZRVBESA-N
MW389.46 g/mol
LogP5.15
Rot. Bonds5

About 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one

3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one (PubChem CID 135839900) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
PubChem CID135839900
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
SMILESCCn1c(/N=N/c2c(O)n(CC(C)C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C22H23N5O2/c1-4-26-20(28)15-9-5-7-11-17(15)23-22(26)25-24-19-16-10-6-8-12-18(16)27(21(19)29)13-14(2)3/h5-12,14,29H,4,13H2,1-3H3/b25-24+
InChIKeyKHAXRBXWWODOGJ-OCOZRVBESA-N
XLogP5.15
TPSA84.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
CID 135823984
3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
CID 3655965
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one
CID 3101801
4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
CID 135692431
N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4630970
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one
CID 135839887
N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 135811401
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
10-(2-methylpropyl)acridin-9-one
CID 59742563
4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol
CID 3140422
1-[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino-3-(2-methoxyethyl)thiourea
CID 2341281

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one (CID 135839900) is 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one is CCn1c(/N=N/c2c(O)n(CC(C)C)c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one?
The InChIKey is KHAXRBXWWODOGJ-OCOZRVBESA-N. The full InChI is InChI=1S/C22H23N5O2/c1-4-26-20(28)15-9-5-7-11-17(15)23-22(26)25-24-19-16-10-6-8-12-18(16)27(21(19)29)13-14(2)3/h5-12,14,29H,4,13H2,1-3H3/b25-24+.
What are the key properties of 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one?
3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one has a molecular weight of 389.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one is sourced from PubChem (CID 135839900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).