1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one

C20H21N3O2 — CID 137144257

IUPAC1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one
SMILESCCCCn1c(=O)c(C=Nc2ccccn2)c(O)c2cccc(C)c21
InChIInChI=1S/C20H21N3O2/c1-3-4-12-23-18-14(2)8-7-9-15(18)19(24)16(20(23)25)13-22-17-10-5-6-11-21-17/h5-11,13,24H,3-4,12H2,1-2H3
InChIKeyZWHYJBHKERZKPU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.96
Rot. Bonds5

About 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one

1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one (PubChem CID 137144257) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one
PubChem CID137144257
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one
SMILESCCCCn1c(=O)c(C=Nc2ccccn2)c(O)c2cccc(C)c21
InChIInChI=1S/C20H21N3O2/c1-3-4-12-23-18-14(2)8-7-9-15(18)19(24)16(20(23)25)13-22-17-10-5-6-11-21-17/h5-11,13,24H,3-4,12H2,1-2H3
InChIKeyZWHYJBHKERZKPU-UHFFFAOYSA-N
XLogP3.96
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-hydroxy-3-[(4-hydroxycyclohexyl)iminomethyl]-8-methylquinolin-2-one
CID 135995920
1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one
CID 135688806
1-butyl-4-hydroxy-3-[(3-nitrophenyl)iminomethyl]quinolin-2-one
CID 135527730
3-hydroxy-4-[(5-methyl-2-pyridinyl)iminomethyl]-2-pyridin-2-ylisoquinolin-1-one
CID 135709190
1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one
CID 135967926
3-hydroxy-4-[(E)-pyridin-2-yliminomethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 135474179
1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
CID 98171554
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54734724
2-(2,4-dimethoxyphenyl)-3-hydroxy-4-(pyridin-2-yliminomethyl)isoquinolin-1-one
CID 2035561
5-[(2,6-dimethylphenyl)iminomethyl]-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135669248
2-(3-chlorophenyl)-5-methyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-3-one
CID 135467567

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one?
The IUPAC name of 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one (CID 137144257) is 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one.
What is the SMILES notation for 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one?
The canonical SMILES for 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one is CCCCn1c(=O)c(C=Nc2ccccn2)c(O)c2cccc(C)c21.
What is the InChIKey of 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one?
The InChIKey is ZWHYJBHKERZKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-4-12-23-18-14(2)8-7-9-15(18)19(24)16(20(23)25)13-22-17-10-5-6-11-21-17/h5-11,13,24H,3-4,12H2,1-2H3.
What are the key properties of 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one?
1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one is sourced from PubChem (CID 137144257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).