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

C13H15NO3 — CID 20618502

IUPAC2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
SMILESCC(=O)N1CCCc2cc(CC(=O)O)ccc21
InChIInChI=1S/C13H15NO3/c1-9(15)14-6-2-3-11-7-10(8-13(16)17)4-5-12(11)14/h4-5,7H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyNJNMMGJPNDFXMM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.61
Rot. Bonds2

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

2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid (PubChem CID 20618502) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
PubChem CID20618502
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
SMILESCC(=O)N1CCCc2cc(CC(=O)O)ccc21
InChIInChI=1S/C13H15NO3/c1-9(15)14-6-2-3-11-7-10(8-13(16)17)4-5-12(11)14/h4-5,7H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyNJNMMGJPNDFXMM-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
CID 82368579
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
1-[6-(2-bromo-3-methylbutyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82255035
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
CID 129145256
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
1-[6-[2-(propylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262345

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid?
The IUPAC name of 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid (CID 20618502) is 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid.
What is the SMILES notation for 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid?
The canonical SMILES for 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid is CC(=O)N1CCCc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid?
The InChIKey is NJNMMGJPNDFXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)14-6-2-3-11-7-10(8-13(16)17)4-5-12(11)14/h4-5,7H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid?
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid is sourced from PubChem (CID 20618502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).