5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C25H30N2O3 — CID 11625619

IUPAC5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChIInChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1
InChIKeySXHDWOIPFGGJDK-QFIPXVFZSA-N
MW406.53 g/mol
LogP3.54
Rot. Bonds6

About 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 11625619) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID11625619
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChIInChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1
InChIKeySXHDWOIPFGGJDK-QFIPXVFZSA-N
XLogP3.54
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 11625619) is 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.
What is the InChIKey of 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is SXHDWOIPFGGJDK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1.
What are the key properties of 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 11625619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).