cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate

C17H19NO3 — CID 7507953

IUPACcyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(OCC1CCCCC1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H19NO3/c19-16-10-15(18-14-9-5-4-8-13(14)16)17(20)21-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,19)
InChIKeyXSBQYGXJKOWQHY-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.27
Rot. Bonds3

About cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate

cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7507953) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7507953
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namecyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(OCC1CCCCC1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H19NO3/c19-16-10-15(18-14-9-5-4-8-13(14)16)17(20)21-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,19)
InChIKeyXSBQYGXJKOWQHY-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
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CID 7508175
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
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ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
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(2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate
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2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
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[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504222

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate (CID 7507953) is cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate is O=C(OCC1CCCCC1)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is XSBQYGXJKOWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-16-10-15(18-14-9-5-4-8-13(14)16)17(20)21-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,19).
What are the key properties of cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate?
cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7507953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).