3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one

C17H19NO3 — CID 10016783

IUPAC3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)c(C(=O)C3CCCCC3)c[nH]c12
InChIInChI=1S/C17H19NO3/c1-21-14-9-5-8-12-15(14)18-10-13(17(12)20)16(19)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,18,20)
InChIKeyXDTKGLQKBRQEST-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.30
Rot. Bonds3

About 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one

3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one (PubChem CID 10016783) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
PubChem CID10016783
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)c(C(=O)C3CCCCC3)c[nH]c12
InChIInChI=1S/C17H19NO3/c1-21-14-9-5-8-12-15(14)18-10-13(17(12)20)16(19)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,18,20)
InChIKeyXDTKGLQKBRQEST-UHFFFAOYSA-N
XLogP3.30
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
CID 82277622
8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 99787084
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
N-cyclopentyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110848702
8-methoxy-N-(6-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831811
3-[(1R,2R,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-8-methoxy-1H-quinolin-4-one
CID 124939207
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
CID 51043857

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one (CID 10016783) is 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one is COc1cccc2c(=O)c(C(=O)C3CCCCC3)c[nH]c12.
What is the InChIKey of 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one?
The InChIKey is XDTKGLQKBRQEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-14-9-5-8-12-15(14)18-10-13(17(12)20)16(19)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,18,20).
What are the key properties of 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one?
3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one has a molecular weight of 285.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 10016783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).