1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid

C14H17NO4 — CID 82624457

IUPAC1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCCOc1ccc2c(c1)CC(C(=O)O)CN2C(C)=O
InChIInChI=1S/C14H17NO4/c1-3-19-12-4-5-13-10(7-12)6-11(14(17)18)8-15(13)9(2)16/h4-5,7,11H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyBNHCAXVQSHFNTH-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.70
Rot. Bonds3

About 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 82624457) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID82624457
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCCOc1ccc2c(c1)CC(C(=O)O)CN2C(C)=O
InChIInChI=1S/C14H17NO4/c1-3-19-12-4-5-13-10(7-12)6-11(14(17)18)8-15(13)9(2)16/h4-5,7,11H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyBNHCAXVQSHFNTH-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 82624457) is 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid is CCOc1ccc2c(c1)CC(C(=O)O)CN2C(C)=O.
What is the InChIKey of 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is BNHCAXVQSHFNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-19-12-4-5-13-10(7-12)6-11(14(17)18)8-15(13)9(2)16/h4-5,7,11H,3,6,8H2,1-2H3,(H,17,18).
What are the key properties of 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 82624457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).