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

C15H19NO4 — CID 82626499

IUPAC2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid
SMILESCCOc1ccc2c(c1)CC(CC(=O)O)CN2C(C)=O
InChIInChI=1S/C15H19NO4/c1-3-20-13-4-5-14-12(8-13)6-11(7-15(18)19)9-16(14)10(2)17/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyINPLMFLUFHWTAJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.09
Rot. Bonds4

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

2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid (PubChem CID 82626499) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid
PubChem CID82626499
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid
SMILESCCOc1ccc2c(c1)CC(CC(=O)O)CN2C(C)=O
InChIInChI=1S/C15H19NO4/c1-3-20-13-4-5-14-12(8-13)6-11(7-15(18)19)9-16(14)10(2)17/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyINPLMFLUFHWTAJ-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid (CID 82626499) is 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid is CCOc1ccc2c(c1)CC(CC(=O)O)CN2C(C)=O.
What is the InChIKey of 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid?
The InChIKey is INPLMFLUFHWTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-20-13-4-5-14-12(8-13)6-11(7-15(18)19)9-16(14)10(2)17/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid?
2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 82626499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).