8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride

C23H29ClN2O3 — CID 164615491

IUPAC8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride
SMILESCc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
InChIInChI=1S/C23H28N2O3.ClH/c1-15-6-4-5-7-16(15)12-13-23(2,3)24-14-20(27)17-8-10-19(26)22-18(17)9-11-21(28)25-22;/h4-11,20,24,26-27H,12-14H2,1-3H3,(H,25,28);1H
InChIKeySMFNNXPXCGWCJX-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.00
Rot. Bonds7

About 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride

8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride (PubChem CID 164615491) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride
PubChem CID164615491
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride
SMILESCc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
InChIInChI=1S/C23H28N2O3.ClH/c1-15-6-4-5-7-16(15)12-13-23(2,3)24-14-20(27)17-8-10-19(26)22-18(17)9-11-21(28)25-22;/h4-11,20,24,26-27H,12-14H2,1-3H3,(H,25,28);1H
InChIKeySMFNNXPXCGWCJX-UHFFFAOYSA-N
XLogP4.00
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride 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 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride (CID 164615491) is 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride is Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride?
The InChIKey is SMFNNXPXCGWCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3.ClH/c1-15-6-4-5-7-16(15)12-13-23(2,3)24-14-20(27)17-8-10-19(26)22-18(17)9-11-21(28)25-22;/h4-11,20,24,26-27H,12-14H2,1-3H3,(H,25,28);1H.
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride?
8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 4.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 164615491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).