[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C21H22N2O4 — CID 18101136

IUPAC[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCc1ccccc1C(C)NC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H22N2O4/c1-13-5-3-4-6-17(13)14(2)22-20(25)12-27-21(26)16-7-9-18-15(11-16)8-10-19(24)23-18/h3-7,9,11,14H,8,10,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySOYYAEFXKUEIFF-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.91
Rot. Bonds5

About [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 18101136) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID18101136
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCc1ccccc1C(C)NC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H22N2O4/c1-13-5-3-4-6-17(13)14(2)22-20(25)12-27-21(26)16-7-9-18-15(11-16)8-10-19(24)23-18/h3-7,9,11,14H,8,10,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySOYYAEFXKUEIFF-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646037
N-(1-naphthalen-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911762
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46645877
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 55366958
3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 97007820
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980174
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873545
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387168
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55380299
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646110

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 18101136) is [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is Cc1ccccc1C(C)NC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is SOYYAEFXKUEIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-5-3-4-6-17(13)14(2)22-20(25)12-27-21(26)16-7-9-18-15(11-16)8-10-19(24)23-18/h3-7,9,11,14H,8,10,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 18101136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).