1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol

C19H16N4O — CID 135982575

IUPAC1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol
SMILESCc1cc(/N=N/c2c(O)n(C)c3ccccc23)nc2ccccc12
InChIInChI=1S/C19H16N4O/c1-12-11-17(20-15-9-5-3-7-13(12)15)21-22-18-14-8-4-6-10-16(14)23(2)19(18)24/h3-11,24H,1-2H3/b22-21+
InChIKeyOLWPRDYRBUXHDM-QURGRASLSA-N
MW316.36 g/mol
LogP5.16
Rot. Bonds2

About 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol

1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol (PubChem CID 135982575) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol
PubChem CID135982575
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol
SMILESCc1cc(/N=N/c2c(O)n(C)c3ccccc23)nc2ccccc12
InChIInChI=1S/C19H16N4O/c1-12-11-17(20-15-9-5-3-7-13(12)15)21-22-18-14-8-4-6-10-16(14)23(2)19(18)24/h3-11,24H,1-2H3/b22-21+
InChIKeyOLWPRDYRBUXHDM-QURGRASLSA-N
XLogP5.16
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.16
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

2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one
CID 3101801
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
CID 135529719
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118
N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide
CID 1362380
5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol
CID 2856245
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one
CID 4566658
ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate
CID 135846555
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol?
The IUPAC name of 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol (CID 135982575) is 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol.
What is the SMILES notation for 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol?
The canonical SMILES for 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol is Cc1cc(/N=N/c2c(O)n(C)c3ccccc23)nc2ccccc12.
What is the InChIKey of 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol?
The InChIKey is OLWPRDYRBUXHDM-QURGRASLSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-11-17(20-15-9-5-3-7-13(12)15)21-22-18-14-8-4-6-10-16(14)23(2)19(18)24/h3-11,24H,1-2H3/b22-21+.
What are the key properties of 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol?
1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol has a molecular weight of 316.36 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol is sourced from PubChem (CID 135982575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).