3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one

C18H14N6O4 — CID 135839887

IUPAC3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one
SMILESCCn1c(/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)nc2ccccc2c1=O
InChIInChI=1S/C18H14N6O4/c1-2-23-17(26)11-5-3-4-6-13(11)20-18(23)22-21-15-12-9-10(24(27)28)7-8-14(12)19-16(15)25/h3-9,19,25H,2H2,1H3/b22-21+
InChIKeyYGYNUUXMFKUVNO-QURGRASLSA-N
MW378.35 g/mol
LogP3.93
Rot. Bonds4

About 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one

3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one (PubChem CID 135839887) has the molecular formula C18H14N6O4 and a molecular weight of 378.35 g/mol. Its IUPAC name is 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one
PubChem CID135839887
Molecular FormulaC18H14N6O4
Molecular Weight378.35 g/mol
Exact Mass378.11
IUPAC Name3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one
SMILESCCn1c(/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)nc2ccccc2c1=O
InChIInChI=1S/C18H14N6O4/c1-2-23-17(26)11-5-3-4-6-13(11)20-18(23)22-21-15-12-9-10(24(27)28)7-8-14(12)19-16(15)25/h3-9,19,25H,2H2,1H3/b22-21+
InChIKeyYGYNUUXMFKUVNO-QURGRASLSA-N
XLogP3.93
TPSA138.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 3451445
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
3-ethyl-6-nitro-1H-quinazoline-2,4-dione
CID 115587409
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
2-[(4-amino-6-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]-3-propylquinazolin-4-one
CID 4611695
5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
CID 176513821
N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3838454
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
3-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
CID 135448106
3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983492
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one (CID 135839887) is 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one is CCn1c(/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one?
The InChIKey is YGYNUUXMFKUVNO-QURGRASLSA-N. The full InChI is InChI=1S/C18H14N6O4/c1-2-23-17(26)11-5-3-4-6-13(11)20-18(23)22-21-15-12-9-10(24(27)28)7-8-14(12)19-16(15)25/h3-9,19,25H,2H2,1H3/b22-21+.
What are the key properties of 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one?
3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one has a molecular weight of 378.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one is sourced from PubChem (CID 135839887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).