2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one

C23H17N5O2 — CID 3101801

IUPAC2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one
SMILESCn1c(O)c(/N=N/c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H17N5O2/c1-27-19-14-8-6-12-17(19)20(22(27)30)25-26-23-24-18-13-7-5-11-16(18)21(29)28(23)15-9-3-2-4-10-15/h2-14,30H,1H3/b26-25+
InChIKeyVKRFERIIKQZMNK-OCEACIFDSA-N
MW395.42 g/mol
LogP5.00
Rot. Bonds3

About 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one

2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one (PubChem CID 3101801) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one
PubChem CID3101801
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one
SMILESCn1c(O)c(/N=N/c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H17N5O2/c1-27-19-14-8-6-12-17(19)20(22(27)30)25-26-23-24-18-13-7-5-11-16(18)21(29)28(23)15-9-3-2-4-10-15/h2-14,30H,1H3/b26-25+
InChIKeyVKRFERIIKQZMNK-OCEACIFDSA-N
XLogP5.00
TPSA84.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 55.00
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

1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol
CID 135982575
3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
CID 135839900
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one
CID 4566658
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
2-ethyl-3-phenylquinazolin-4-one
CID 719985
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
CID 135529719
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one (CID 3101801) is 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one is Cn1c(O)c(/N=N/c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one?
The InChIKey is VKRFERIIKQZMNK-OCEACIFDSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-27-19-14-8-6-12-17(19)20(22(27)30)25-26-23-24-18-13-7-5-11-16(18)21(29)28(23)15-9-3-2-4-10-15/h2-14,30H,1H3/b26-25+.
What are the key properties of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one?
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one has a molecular weight of 395.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 3101801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).