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

C19H19NO3 — CID 129145060

IUPAC2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
SMILESCC(=O)N1CCCc2cc(-c3ccc(CC(=O)O)cc3)ccc21
InChIInChI=1S/C19H19NO3/c1-13(21)20-10-2-3-17-12-16(8-9-18(17)20)15-6-4-14(5-7-15)11-19(22)23/h4-9,12H,2-3,10-11H2,1H3,(H,22,23)
InChIKeyRHYIGWZYLAAVAQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.28
Rot. Bonds3

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

2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid (PubChem CID 129145060) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
PubChem CID129145060
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
SMILESCC(=O)N1CCCc2cc(-c3ccc(CC(=O)O)cc3)ccc21
InChIInChI=1S/C19H19NO3/c1-13(21)20-10-2-3-17-12-16(8-9-18(17)20)15-6-4-14(5-7-15)11-19(22)23/h4-9,12H,2-3,10-11H2,1H3,(H,22,23)
InChIKeyRHYIGWZYLAAVAQ-UHFFFAOYSA-N
XLogP3.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
CID 82368579
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
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-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide
CID 129145248
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid (CID 129145060) is 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid is CC(=O)N1CCCc2cc(-c3ccc(CC(=O)O)cc3)ccc21.
What is the InChIKey of 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid?
The InChIKey is RHYIGWZYLAAVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(21)20-10-2-3-17-12-16(8-9-18(17)20)15-6-4-14(5-7-15)11-19(22)23/h4-9,12H,2-3,10-11H2,1H3,(H,22,23).
What are the key properties of 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid?
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid is sourced from PubChem (CID 129145060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).