3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol

C24H19N5O3 — CID 137290352

IUPAC3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol
SMILESCOc1ccc(-c2nc(/N=N/c3c(O)[nH]c4ccccc34)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H19N5O3/c1-31-19-12-11-14(13-20(19)32-2)22-25-18-10-6-4-8-16(18)23(27-22)29-28-21-15-7-3-5-9-17(15)26-24(21)30/h3-13,26,30H,1-2H3/b29-28+
InChIKeyPAPNATGOBHBQFB-ZQHSETAFSA-N
MW425.45 g/mol
LogP5.92
Rot. Bonds5

About 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol

3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol (PubChem CID 137290352) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol
PubChem CID137290352
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol
SMILESCOc1ccc(-c2nc(/N=N/c3c(O)[nH]c4ccccc34)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H19N5O3/c1-31-19-12-11-14(13-20(19)32-2)22-25-18-10-6-4-8-16(18)23(27-22)29-28-21-15-7-3-5-9-17(15)26-24(21)30/h3-13,26,30H,1-2H3/b29-28+
InChIKeyPAPNATGOBHBQFB-ZQHSETAFSA-N
XLogP5.92
TPSA104.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.92
H-Bond Donors ≤ 52
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

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 172990739
3-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]diazenyl]-5-chloro-1H-indol-2-ol
CID 137317513
4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 90435743
2-(3,4-dimethoxyphenyl)-N,N-dimethylquinazolin-4-amine
CID 132524311
N-[1-(3,4-dimethoxyphenyl)-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3093261
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide
CID 5153691
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 166593558
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
CID 22330512
11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
CID 146170256
N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine
CID 23820170
3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135455472
3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 135659249

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol (CID 137290352) is 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol is COc1ccc(-c2nc(/N=N/c3c(O)[nH]c4ccccc34)c3ccccc3n2)cc1OC.
What is the InChIKey of 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol?
The InChIKey is PAPNATGOBHBQFB-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-31-19-12-11-14(13-20(19)32-2)22-25-18-10-6-4-8-16(18)23(27-22)29-28-21-15-7-3-5-9-17(15)26-24(21)30/h3-13,26,30H,1-2H3/b29-28+.
What are the key properties of 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol?
3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol has a molecular weight of 425.45 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 137290352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).