1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one

C24H28N2O3 — CID 71268531

IUPAC1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one
SMILESCCc1cc2c(cc1CC)CC(NCC(O)n1c(=O)ccc3cccc(O)c31)C2
InChIInChI=1S/C24H28N2O3/c1-3-15-10-18-12-20(13-19(18)11-16(15)4-2)25-14-23(29)26-22(28)9-8-17-6-5-7-21(27)24(17)26/h5-11,20,23,25,27,29H,3-4,12-14H2,1-2H3
InChIKeyQJAPVCQOSKYRTR-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one

1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one (PubChem CID 71268531) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one
PubChem CID71268531
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one
SMILESCCc1cc2c(cc1CC)CC(NCC(O)n1c(=O)ccc3cccc(O)c31)C2
InChIInChI=1S/C24H28N2O3/c1-3-15-10-18-12-20(13-19(18)11-16(15)4-2)25-14-23(29)26-22(28)9-8-17-6-5-7-21(27)24(17)26/h5-11,20,23,25,27,29H,3-4,12-14H2,1-2H3
InChIKeyQJAPVCQOSKYRTR-UHFFFAOYSA-N
XLogP3.08
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one?
The IUPAC name of 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one (CID 71268531) is 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one.
What is the SMILES notation for 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one?
The canonical SMILES for 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one is CCc1cc2c(cc1CC)CC(NCC(O)n1c(=O)ccc3cccc(O)c31)C2.
What is the InChIKey of 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one?
The InChIKey is QJAPVCQOSKYRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-15-10-18-12-20(13-19(18)11-16(15)4-2)25-14-23(29)26-22(28)9-8-17-6-5-7-21(27)24(17)26/h5-11,20,23,25,27,29H,3-4,12-14H2,1-2H3.
What are the key properties of 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one?
1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2-one is sourced from PubChem (CID 71268531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).