2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid

C17H17NO4 — CID 82368579

IUPAC2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
SMILESCC(=O)N1CCCc2cc(-c3ccc(CC(=O)O)o3)ccc21
InChIInChI=1S/C17H17NO4/c1-11(19)18-8-2-3-12-9-13(4-6-15(12)18)16-7-5-14(22-16)10-17(20)21/h4-7,9H,2-3,8,10H2,1H3,(H,20,21)
InChIKeyYYLBOXYUGKUDLM-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.87
Rot. Bonds3

About 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid

2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid (PubChem CID 82368579) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
PubChem CID82368579
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
SMILESCC(=O)N1CCCc2cc(-c3ccc(CC(=O)O)o3)ccc21
InChIInChI=1S/C17H17NO4/c1-11(19)18-8-2-3-12-9-13(4-6-15(12)18)16-7-5-14(22-16)10-17(20)21/h4-7,9H,2-3,8,10H2,1H3,(H,20,21)
InChIKeyYYLBOXYUGKUDLM-UHFFFAOYSA-N
XLogP2.87
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
CID 129145256
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid
CID 82365008
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
(E)-3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]but-2-enoic acid
CID 82543782
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
CID 82119352
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid?
The IUPAC name of 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid (CID 82368579) is 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid is CC(=O)N1CCCc2cc(-c3ccc(CC(=O)O)o3)ccc21.
What is the InChIKey of 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid?
The InChIKey is YYLBOXYUGKUDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(19)18-8-2-3-12-9-13(4-6-15(12)18)16-7-5-14(22-16)10-17(20)21/h4-7,9H,2-3,8,10H2,1H3,(H,20,21).
What are the key properties of 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid?
2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid is sourced from PubChem (CID 82368579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).