4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid

C24H28N2O4 — CID 175305736

IUPAC4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2C(=O)CCc3ccc(OCCN4CCCCC4)cc32)cc1
InChIInChI=1S/C24H28N2O4/c27-23-11-9-19-8-10-21(30-15-14-25-12-2-1-3-13-25)16-22(19)26(23)17-18-4-6-20(7-5-18)24(28)29/h4-8,10,16H,1-3,9,11-15,17H2,(H,28,29)
InChIKeyYHKTYUNHLHFSAY-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.73
Rot. Bonds7

About 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid

4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid (PubChem CID 175305736) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid
PubChem CID175305736
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2C(=O)CCc3ccc(OCCN4CCCCC4)cc32)cc1
InChIInChI=1S/C24H28N2O4/c27-23-11-9-19-8-10-21(30-15-14-25-12-2-1-3-13-25)16-22(19)26(23)17-18-4-6-20(7-5-18)24(28)29/h4-8,10,16H,1-3,9,11-15,17H2,(H,28,29)
InChIKeyYHKTYUNHLHFSAY-UHFFFAOYSA-N
XLogP3.73
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
CID 90654937
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
7-methoxy-1-(2-piperidin-1-ylethyl)-3,4-dihydroquinolin-2-one
CID 141163160
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid
CID 43446723
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
CID 86301465
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711309
methyl 4-[(7-methylsulfonyloxy-2-oxo-3,4-dihydroquinolin-1-yl)methyl]benzoate
CID 165114030

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid (CID 175305736) is 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid is O=C(O)c1ccc(CN2C(=O)CCc3ccc(OCCN4CCCCC4)cc32)cc1.
What is the InChIKey of 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid?
The InChIKey is YHKTYUNHLHFSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-23-11-9-19-8-10-21(30-15-14-25-12-2-1-3-13-25)16-22(19)26(23)17-18-4-6-20(7-5-18)24(28)29/h4-8,10,16H,1-3,9,11-15,17H2,(H,28,29).
What are the key properties of 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid?
4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid has a molecular weight of 408.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 175305736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).