4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid

C14H17NO3 — CID 3669719

IUPAC4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
SMILESO=Cc1ccc2c(c1)CCCN2CCCC(=O)O
InChIInChI=1S/C14H17NO3/c16-10-11-5-6-13-12(9-11)3-1-7-15(13)8-2-4-14(17)18/h5-6,9-10H,1-4,7-8H2,(H,17,18)
InChIKeyWIAYODPLGCTTTN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.12
Rot. Bonds5

About 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid

4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid (PubChem CID 3669719) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
PubChem CID3669719
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
SMILESO=Cc1ccc2c(c1)CCCN2CCCC(=O)O
InChIInChI=1S/C14H17NO3/c16-10-11-5-6-13-12(9-11)3-1-7-15(13)8-2-4-14(17)18/h5-6,9-10H,1-4,7-8H2,(H,17,18)
InChIKeyWIAYODPLGCTTTN-UHFFFAOYSA-N
XLogP2.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The IUPAC name of 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid (CID 3669719) is 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid.
What is the SMILES notation for 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The canonical SMILES for 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid is O=Cc1ccc2c(c1)CCCN2CCCC(=O)O.
What is the InChIKey of 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The InChIKey is WIAYODPLGCTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-10-11-5-6-13-12(9-11)3-1-7-15(13)8-2-4-14(17)18/h5-6,9-10H,1-4,7-8H2,(H,17,18).
What are the key properties of 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid is sourced from PubChem (CID 3669719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).