6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid

C15H18INO3 — CID 79784361

IUPAC6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCN1C(=O)CCc2cc(I)ccc21
InChIInChI=1S/C15H18INO3/c16-12-6-7-13-11(10-12)5-8-14(18)17(13)9-3-1-2-4-15(19)20/h6-7,10H,1-5,8-9H2,(H,19,20)
InChIKeyAUCWAVNIZKDPSI-UHFFFAOYSA-N
MW387.22 g/mol
LogP3.22
Rot. Bonds6

About 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid

6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid (PubChem CID 79784361) has the molecular formula C15H18INO3 and a molecular weight of 387.22 g/mol. Its IUPAC name is 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid
PubChem CID79784361
Molecular FormulaC15H18INO3
Molecular Weight387.22 g/mol
Exact Mass387.03
IUPAC Name6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCN1C(=O)CCc2cc(I)ccc21
InChIInChI=1S/C15H18INO3/c16-12-6-7-13-11(10-12)5-8-14(18)17(13)9-3-1-2-4-15(19)20/h6-7,10H,1-5,8-9H2,(H,19,20)
InChIKeyAUCWAVNIZKDPSI-UHFFFAOYSA-N
XLogP3.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-1-nonyl-3H-indol-2-one
CID 79784933
1-hexyl-7-iodo-4,5-dihydro-3H-1-benzazepin-2-one
CID 79787898
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79784832
1-(4-cyanobutyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711347
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid;propane
CID 143541157
7-iodo-1-(2-methylsulfonylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 79787473
1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79785399
1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 114935100

Frequently Asked Questions

What is the IUPAC name of 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid?
The IUPAC name of 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid (CID 79784361) is 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid?
The canonical SMILES for 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid is O=C(O)CCCCCN1C(=O)CCc2cc(I)ccc21.
What is the InChIKey of 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid?
The InChIKey is AUCWAVNIZKDPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO3/c16-12-6-7-13-11(10-12)5-8-14(18)17(13)9-3-1-2-4-15(19)20/h6-7,10H,1-5,8-9H2,(H,19,20).
What are the key properties of 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid?
6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid has a molecular weight of 387.22 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid is sourced from PubChem (CID 79784361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).