[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate

C17H20N2O3 — CID 2693091

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H20N2O3/c1-3-13(4-2)18-16(20)11-22-17(21)15-10-9-12-7-5-6-8-14(12)19-15/h5-10,13H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyFDYGYJJZXRHIDM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.70
Rot. Bonds6

About [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate

[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate (PubChem CID 2693091) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
PubChem CID2693091
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H20N2O3/c1-3-13(4-2)18-16(20)11-22-17(21)15-10-9-12-7-5-6-8-14(12)19-15/h5-10,13H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyFDYGYJJZXRHIDM-UHFFFAOYSA-N
XLogP2.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812584
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] quinoline-2-carboxylate
CID 16540465
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] quinoline-2-carboxylate
CID 95795069
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] quinoline-2-carboxylate
CID 7813099
2-ethylbutanoyl quinoline-2-carboxylate
CID 18335639
[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2428739
[2-(3,4-difluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2466704
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] quinoline-2-carboxylate
CID 7813108
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 4226974
[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 5031541
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 23881687
[2-(4-butoxycarbonylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 7812667

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate (CID 2693091) is [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate is CCC(CC)NC(=O)COC(=O)c1ccc2ccccc2n1.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate?
The InChIKey is FDYGYJJZXRHIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-13(4-2)18-16(20)11-22-17(21)15-10-9-12-7-5-6-8-14(12)19-15/h5-10,13H,3-4,11H2,1-2H3,(H,18,20).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate?
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2693091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).