[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C17H20N2O3 — CID 18074137

IUPAC[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCCC(C)NC(=O)COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-4-11(2)19-16(20)10-22-17(21)14-9-12(3)18-15-8-6-5-7-13(14)15/h5-9,11H,4,10H2,1-3H3,(H,19,20)
InChIKeyNJOAKUZCJIBGIF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.61
Rot. Bonds5

About [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 18074137) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID18074137
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCCC(C)NC(=O)COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-4-11(2)19-16(20)10-22-17(21)14-9-12(3)18-15-8-6-5-7-13(14)15/h5-9,11H,4,10H2,1-3H3,(H,19,20)
InChIKeyNJOAKUZCJIBGIF-UHFFFAOYSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009424
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577464
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2693325
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484632
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2693430
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577469
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501904
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate
CID 8577440
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
CID 23913779
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3882869

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 18074137) is [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is CCC(C)NC(=O)COC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is NJOAKUZCJIBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-11(2)19-16(20)10-22-17(21)14-9-12(3)18-15-8-6-5-7-13(14)15/h5-9,11H,4,10H2,1-3H3,(H,19,20).
What are the key properties of [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 18074137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).