ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate

C16H18N2O4 — CID 37262146

IUPACethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H18N2O4/c1-2-22-15(20)8-5-9-17-16(21)12-10-14(19)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,21)(H,18,19)
InChIKeyDPUQDAXDJWQQAZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.60
Rot. Bonds6

About ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate

ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate (PubChem CID 37262146) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
PubChem CID37262146
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H18N2O4/c1-2-22-15(20)8-5-9-17-16(21)12-10-14(19)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,21)(H,18,19)
InChIKeyDPUQDAXDJWQQAZ-UHFFFAOYSA-N
XLogP1.60
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 103767277
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166319507
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 9346342
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate (CID 37262146) is ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate?
The InChIKey is DPUQDAXDJWQQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-22-15(20)8-5-9-17-16(21)12-10-14(19)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,21)(H,18,19).
What are the key properties of ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate?
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate has a molecular weight of 302.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate is sourced from PubChem (CID 37262146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).