5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid

C26H32N2O5 — CID 68877343

IUPAC5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid
SMILESCCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)CO
InChIInChI=1S/C24H28N2O2.C2H4O3/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24;3-1-2(4)5/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28);3H,1H2,(H,4,5)
InChIKeyXRZJAXJBRGXRAU-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.72
Rot. Bonds7

About 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid

5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid (PubChem CID 68877343) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid.

Molecular Properties

Compound Name5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid
PubChem CID68877343
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid
SMILESCCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)CO
InChIInChI=1S/C24H28N2O2.C2H4O3/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24;3-1-2(4)5/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28);3H,1H2,(H,4,5)
InChIKeyXRZJAXJBRGXRAU-UHFFFAOYSA-N
XLogP2.72
TPSA122.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid?
The IUPAC name of 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid (CID 68877343) is 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid.
What is the SMILES notation for 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid?
The canonical SMILES for 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid is CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)CO.
What is the InChIKey of 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid?
The InChIKey is XRZJAXJBRGXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2.C2H4O3/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24;3-1-2(4)5/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28);3H,1H2,(H,4,5).
What are the key properties of 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid?
5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid has a molecular weight of 452.55 g/mol, XLogP of 2.72, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid is sourced from PubChem (CID 68877343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).