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

C15H16N2O4 — CID 29131557

IUPACmethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H16N2O4/c1-21-14(19)7-4-8-16-15(20)11-9-13(18)17-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,17,18)
InChIKeyLMLMITWQUPBLGB-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.21
Rot. Bonds5

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

methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate (PubChem CID 29131557) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
PubChem CID29131557
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H16N2O4/c1-21-14(19)7-4-8-16-15(20)11-9-13(18)17-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,17,18)
InChIKeyLMLMITWQUPBLGB-UHFFFAOYSA-N
XLogP1.21
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.21
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

ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 37262146
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166319507
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 103767277
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate (CID 29131557) is methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate is COC(=O)CCCNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate?
The InChIKey is LMLMITWQUPBLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-21-14(19)7-4-8-16-15(20)11-9-13(18)17-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate?
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate has a molecular weight of 288.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate is sourced from PubChem (CID 29131557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).