2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid

C15H19NO3 — CID 82623979

IUPAC2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCC(=O)N1CCC(CC(=O)O)c2c(C)ccc(C)c21
InChIInChI=1S/C15H19NO3/c1-9-4-5-10(2)15-14(9)12(8-13(18)19)6-7-16(15)11(3)17/h4-5,12H,6-8H2,1-3H3,(H,18,19)
InChIKeyHQZIHHYSXXFNIS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.62
Rot. Bonds2

About 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid

2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid (PubChem CID 82623979) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
PubChem CID82623979
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCC(=O)N1CCC(CC(=O)O)c2c(C)ccc(C)c21
InChIInChI=1S/C15H19NO3/c1-9-4-5-10(2)15-14(9)12(8-13(18)19)6-7-16(15)11(3)17/h4-5,12H,6-8H2,1-3H3,(H,18,19)
InChIKeyHQZIHHYSXXFNIS-UHFFFAOYSA-N
XLogP2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid (CID 82623979) is 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid is CC(=O)N1CCC(CC(=O)O)c2c(C)ccc(C)c21.
What is the InChIKey of 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The InChIKey is HQZIHHYSXXFNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-4-5-10(2)15-14(9)12(8-13(18)19)6-7-16(15)11(3)17/h4-5,12H,6-8H2,1-3H3,(H,18,19).
What are the key properties of 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 82623979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).