6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid

C18H24N2O4 — CID 119220243

IUPAC6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C18H24N2O4/c21-16(19-12-5-1-2-8-18(23)24)11-13-20-15-7-4-3-6-14(15)9-10-17(20)22/h3-4,6-7H,1-2,5,8-13H2,(H,19,21)(H,23,24)
InChIKeyFYTSJNRHOFPMOH-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.12
Rot. Bonds9

About 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid

6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid (PubChem CID 119220243) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
PubChem CID119220243
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C18H24N2O4/c21-16(19-12-5-1-2-8-18(23)24)11-13-20-15-7-4-3-6-14(15)9-10-17(20)22/h3-4,6-7H,1-2,5,8-13H2,(H,19,21)(H,23,24)
InChIKeyFYTSJNRHOFPMOH-UHFFFAOYSA-N
XLogP2.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 119527590
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119619374
3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid
CID 119252572
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 120944772
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid?
The IUPAC name of 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid (CID 119220243) is 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid?
The canonical SMILES for 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)CCN1C(=O)CCc2ccccc21.
What is the InChIKey of 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid?
The InChIKey is FYTSJNRHOFPMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(19-12-5-1-2-8-18(23)24)11-13-20-15-7-4-3-6-14(15)9-10-17(20)22/h3-4,6-7H,1-2,5,8-13H2,(H,19,21)(H,23,24).
What are the key properties of 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid?
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid is sourced from PubChem (CID 119220243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).