3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid

C16H16N2O4 — CID 82362336

IUPAC3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)N1CCCc2ccc(-c3noc(C(=O)O)c3C)cc21
InChIInChI=1S/C16H16N2O4/c1-9-14(17-22-15(9)16(20)21)12-6-5-11-4-3-7-18(10(2)19)13(11)8-12/h5-6,8H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyJTDNOLGYEUPLJB-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.65
Rot. Bonds2

About 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid

3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid (PubChem CID 82362336) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid
PubChem CID82362336
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)N1CCCc2ccc(-c3noc(C(=O)O)c3C)cc21
InChIInChI=1S/C16H16N2O4/c1-9-14(17-22-15(9)16(20)21)12-6-5-11-4-3-7-18(10(2)19)13(11)8-12/h5-6,8H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyJTDNOLGYEUPLJB-UHFFFAOYSA-N
XLogP2.65
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid with MolForge

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Related Compounds

1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
CID 82362316
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
2-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-chloro-1-ethyl-1,3-thiazol-1-ium-4-carboxylate
CID 172750018
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
ethane;1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143533155
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459383
1-(6-hydroxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 14338804
1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 23326421
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one
CID 82341570

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid (CID 82362336) is 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid is CC(=O)N1CCCc2ccc(-c3noc(C(=O)O)c3C)cc21.
What is the InChIKey of 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is JTDNOLGYEUPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-14(17-22-15(9)16(20)21)12-6-5-11-4-3-7-18(10(2)19)13(11)8-12/h5-6,8H,3-4,7H2,1-2H3,(H,20,21).
What are the key properties of 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid?
3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82362336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).