cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate

C22H21NO4 — CID 90666496

IUPACcyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate
SMILESO=C(OC1CCCCC1)c1c[nH]c2cc(Oc3ccccc3)ccc2c1=O
InChIInChI=1S/C22H21NO4/c24-21-18-12-11-17(26-15-7-3-1-4-8-15)13-20(18)23-14-19(21)22(25)27-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,24)
InChIKeyGWNRMPOFRKCGFP-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.81
Rot. Bonds4

About cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate

cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate (PubChem CID 90666496) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate
PubChem CID90666496
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namecyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate
SMILESO=C(OC1CCCCC1)c1c[nH]c2cc(Oc3ccccc3)ccc2c1=O
InChIInChI=1S/C22H21NO4/c24-21-18-12-11-17(26-15-7-3-1-4-8-15)13-20(18)23-14-19(21)22(25)27-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,24)
InChIKeyGWNRMPOFRKCGFP-UHFFFAOYSA-N
XLogP4.81
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate
CID 57172194
cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 71848549
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
cyclohexyl 2-aminobenzoate
CID 24510
3-(cyclopropanecarbonyl)-7-phenoxychromen-4-one
CID 139885698
dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate
CID 22247185
4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide
CID 154840617
dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 14121494
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
CID 56818810
ethyl 4-oxo-7-tetradecoxy-1H-quinoline-3-carboxylate
CID 154101984
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate?
The IUPAC name of cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate (CID 90666496) is cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate.
What is the SMILES notation for cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate?
The canonical SMILES for cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate is O=C(OC1CCCCC1)c1c[nH]c2cc(Oc3ccccc3)ccc2c1=O.
What is the InChIKey of cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate?
The InChIKey is GWNRMPOFRKCGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c24-21-18-12-11-17(26-15-7-3-1-4-8-15)13-20(18)23-14-19(21)22(25)27-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,24).
What are the key properties of cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate?
cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate is sourced from PubChem (CID 90666496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).