[2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H24N2O4 — CID 2646014

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC1CCCCCCC1
InChIInChI=1S/C20H24N2O4/c23-18-12-16(15-10-6-7-11-17(15)22-18)20(25)26-13-19(24)21-14-8-4-2-1-3-5-9-14/h6-7,10-12,14H,1-5,8-9,13H2,(H,21,24)(H,22,23)
InChIKeyYRIDUQHBHFDCDR-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.91
Rot. Bonds4

About [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2646014) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2646014
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC1CCCCCCC1
InChIInChI=1S/C20H24N2O4/c23-18-12-16(15-10-6-7-11-17(15)22-18)20(25)26-13-19(24)21-14-8-4-2-1-3-5-9-14/h6-7,10-12,14H,1-5,8-9,13H2,(H,21,24)(H,22,23)
InChIKeyYRIDUQHBHFDCDR-UHFFFAOYSA-N
XLogP2.91
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethoxycarbonyl-2-quinolone
CID 160782
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 2388958
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2391569
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2417566
[2-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 16392702
Propyl 2-hydroxyquinoline-4-carboxylate
CID 649303
butyl 2-oxo-1H-quinoline-4-carboxylate
CID 660495
Pentyl 2-oxo-1,2-dihydroquinoline-4-carboxylate
CID 660585

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2646014) is [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is YRIDUQHBHFDCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-18-12-16(15-10-6-7-11-17(15)22-18)20(25)26-13-19(24)21-14-8-4-2-1-3-5-9-14/h6-7,10-12,14H,1-5,8-9,13H2,(H,21,24)(H,22,23).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2646014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).