7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid

C18H24N2O5 — CID 71936315

IUPAC7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H24N2O5/c21-16-9-6-13-11-14(7-8-15(13)20-16)25-12-17(22)19-10-4-2-1-3-5-18(23)24/h7-8,11H,1-6,9-10,12H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyGGAJQVDGVPFQCT-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.10
Rot. Bonds10

About 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid

7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid (PubChem CID 71936315) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid
PubChem CID71936315
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H24N2O5/c21-16-9-6-13-11-14(7-8-15(13)20-16)25-12-17(22)19-10-4-2-1-3-5-18(23)24/h7-8,11H,1-6,9-10,12H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyGGAJQVDGVPFQCT-UHFFFAOYSA-N
XLogP2.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
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 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
N-(2-cyclopentylethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 39997989
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
N-(1-adamantyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24650546
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-[(6-methoxynaphthalen-2-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134050875
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
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

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid (CID 71936315) is 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid?
The InChIKey is GGAJQVDGVPFQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-16-9-6-13-11-14(7-8-15(13)20-16)25-12-17(22)19-10-4-2-1-3-5-18(23)24/h7-8,11H,1-6,9-10,12H2,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid?
7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid has a molecular weight of 348.40 g/mol, XLogP of 2.10, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid is sourced from PubChem (CID 71936315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).