5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid

C15H19NO4 — CID 43580051

IUPAC5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
SMILESCOc1ccc2c(c1)CCCN2C(=O)CCCC(=O)O
InChIInChI=1S/C15H19NO4/c1-20-12-7-8-13-11(10-12)4-3-9-16(13)14(17)5-2-6-15(18)19/h7-8,10H,2-6,9H2,1H3,(H,18,19)
InChIKeyFTWXYEXWNDYUPS-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.23
Rot. Bonds5

About 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid

5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid (PubChem CID 43580051) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
PubChem CID43580051
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
SMILESCOc1ccc2c(c1)CCCN2C(=O)CCCC(=O)O
InChIInChI=1S/C15H19NO4/c1-20-12-7-8-13-11(10-12)4-3-9-16(13)14(17)5-2-6-15(18)19/h7-8,10H,2-6,9H2,1H3,(H,18,19)
InChIKeyFTWXYEXWNDYUPS-UHFFFAOYSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 36502951
4-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]butanoic acid
CID 82260139
4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid
CID 122021374
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 55468248
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid
CID 137347729
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
2-[2-hydroxypropyl(propan-2-yl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 111107882

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid (CID 43580051) is 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid is COc1ccc2c(c1)CCCN2C(=O)CCCC(=O)O.
What is the InChIKey of 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The InChIKey is FTWXYEXWNDYUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-12-7-8-13-11(10-12)4-3-9-16(13)14(17)5-2-6-15(18)19/h7-8,10H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 43580051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).