butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile

C15H18N2O2 — CID 143489828

IUPACbutane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCCCC.Cc1ccc2[nH]c(=O)c(C#N)c(O)c2c1
InChIInChI=1S/C11H8N2O2.C4H10/c1-6-2-3-9-7(4-6)10(14)8(5-12)11(15)13-9;1-3-4-2/h2-4H,1H3,(H2,13,14,15);3-4H2,1-2H3
InChIKeyMYROSFOQRMXGFK-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.22
Rot. Bonds1

About butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile

butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 143489828) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Namebutane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID143489828
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namebutane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCCCC.Cc1ccc2[nH]c(=O)c(C#N)c(O)c2c1
InChIInChI=1S/C11H8N2O2.C4H10/c1-6-2-3-9-7(4-6)10(14)8(5-12)11(15)13-9;1-3-4-2/h2-4H,1H3,(H2,13,14,15);3-4H2,1-2H3
InChIKeyMYROSFOQRMXGFK-UHFFFAOYSA-N
XLogP3.22
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile
CID 84625061
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165
2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one
CID 142859644
3-(azepan-1-ylmethyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 54676438
3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 123829287
3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 54710237
2,7-dimethyl-10H-acridin-9-one
CID 13293445
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 84619808
4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one
CID 139646774
3,6-dimethyl-9H-carbazole
CID 144942624
4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile
CID 136597520

Frequently Asked Questions

What is the IUPAC name of butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile (CID 143489828) is butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile is CCCC.Cc1ccc2[nH]c(=O)c(C#N)c(O)c2c1.
What is the InChIKey of butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is MYROSFOQRMXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2.C4H10/c1-6-2-3-9-7(4-6)10(14)8(5-12)11(15)13-9;1-3-4-2/h2-4H,1H3,(H2,13,14,15);3-4H2,1-2H3.
What are the key properties of butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile?
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 143489828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).