[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate

C16H14N2O3 — CID 8577430

IUPAC[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
SMILESC#CCNC(=O)COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H14N2O3/c1-3-8-17-15(19)10-21-16(20)13-9-11(2)18-14-7-5-4-6-12(13)14/h1,4-7,9H,8,10H2,2H3,(H,17,19)
InChIKeyYOUIZMGROUGYOV-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.45
Rot. Bonds4

About [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 8577430) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
PubChem CID8577430
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
SMILESC#CCNC(=O)COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H14N2O3/c1-3-8-17-15(19)10-21-16(20)13-9-11(2)18-14-7-5-4-6-12(13)14/h1,4-7,9H,8,10H2,2H3,(H,17,19)
InChIKeyYOUIZMGROUGYOV-UHFFFAOYSA-N
XLogP1.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate
CID 8565545
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648710
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate
CID 8577440
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 18074137
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2454944
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484643
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484664
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 845169
3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
CID 23913779
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577464
[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484557
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate (CID 8577430) is [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate is C#CCNC(=O)COC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is YOUIZMGROUGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-3-8-17-15(19)10-21-16(20)13-9-11(2)18-14-7-5-4-6-12(13)14/h1,4-7,9H,8,10H2,2H3,(H,17,19).
What are the key properties of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 8577430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).