2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid

C18H24N2O5 — CID 119199653

IUPAC2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
SMILESCCC(C)(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C18H24N2O5/c1-3-18(2,17(23)24)20-16(22)5-4-10-25-13-7-8-14-12(11-13)6-9-15(21)19-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyJEIBPTNHTQBBCA-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.10
Rot. Bonds8

About 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid

2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid (PubChem CID 119199653) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
PubChem CID119199653
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
SMILESCCC(C)(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C18H24N2O5/c1-3-18(2,17(23)24)20-16(22)5-4-10-25-13-7-8-14-12(11-13)6-9-15(21)19-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyJEIBPTNHTQBBCA-UHFFFAOYSA-N
XLogP2.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid with MolForge

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Related Compounds

N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 97254517
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-[2-(diethylamino)-3-phenylpropyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55932562
2-[4-(4-bromophenoxy)butanoylamino]-2-methylbutanoic acid
CID 79789268
N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 15572886
N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119615003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid (CID 119199653) is 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid is CCC(C)(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid?
The InChIKey is JEIBPTNHTQBBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-18(2,17(23)24)20-16(22)5-4-10-25-13-7-8-14-12(11-13)6-9-15(21)19-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid?
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid has a molecular weight of 348.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid is sourced from PubChem (CID 119199653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).