3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one

C18H17N3O2 — CID 123829287

IUPAC3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C/N=N/Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C18H17N3O2/c1-12-7-8-16-14(9-12)17(22)15(18(23)21-16)11-20-19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,21,22,23)/b20-19+
InChIKeyIZWFFPOEBKTQFN-FMQUCBEESA-N
MW307.35 g/mol
LogP3.69
Rot. Bonds4

About 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one

3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one (PubChem CID 123829287) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
PubChem CID123829287
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C/N=N/Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C18H17N3O2/c1-12-7-8-16-14(9-12)17(22)15(18(23)21-16)11-20-19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,21,22,23)/b20-19+
InChIKeyIZWFFPOEBKTQFN-FMQUCBEESA-N
XLogP3.69
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 54710237
3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54703199
3-(azepan-1-ylmethyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 54676438
N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136774436
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 143489828
2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
CID 115038738
2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one
CID 142859644
8-methyl-5H-phenanthridin-6-one
CID 102200304
4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one
CID 139646774
3-benzyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 20755130
4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one
CID 158571692
6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one
CID 142993468

Frequently Asked Questions

What is the IUPAC name of 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one (CID 123829287) is 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C/N=N/Cc3ccccc3)c(O)c2c1.
What is the InChIKey of 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one?
The InChIKey is IZWFFPOEBKTQFN-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-8-16-14(9-12)17(22)15(18(23)21-16)11-20-19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,21,22,23)/b20-19+.
What are the key properties of 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one?
3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 123829287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).