5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol

C25H32N2O2 — CID 141155801

IUPAC5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol
SMILESCCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3c1C=C(C)CN3)C2
InChIInChI=1S/C25H32N2O2/c1-4-16-9-18-11-20(12-19(18)10-17(16)5-2)26-14-24(29)21-6-7-23(28)25-22(21)8-15(3)13-27-25/h6-10,20,24,26-29H,4-5,11-14H2,1-3H3
InChIKeyXHXWUIWEKRJWKM-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.14
Rot. Bonds6

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

5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol (PubChem CID 141155801) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol.

Molecular Properties

Compound Name5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol
PubChem CID141155801
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol
SMILESCCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3c1C=C(C)CN3)C2
InChIInChI=1S/C25H32N2O2/c1-4-16-9-18-11-20(12-19(18)10-17(16)5-2)26-14-24(29)21-6-7-23(28)25-22(21)8-15(3)13-27-25/h6-10,20,24,26-29H,4-5,11-14H2,1-3H3
InChIKeyXHXWUIWEKRJWKM-UHFFFAOYSA-N
XLogP4.14
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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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]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol?
The IUPAC name of 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol (CID 141155801) is 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol.
What is the SMILES notation for 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol?
The canonical SMILES for 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol is CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3c1C=C(C)CN3)C2.
What is the InChIKey of 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol?
The InChIKey is XHXWUIWEKRJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-16-9-18-11-20(12-19(18)10-17(16)5-2)26-14-24(29)21-6-7-23(28)25-22(21)8-15(3)13-27-25/h6-10,20,24,26-29H,4-5,11-14H2,1-3H3.
What are the key properties of 5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol?
5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol has a molecular weight of 392.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 4 hydrogen bond donors, and 4 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]-1-hydroxyethyl]-3-methyl-1,2-dihydroquinolin-8-ol is sourced from PubChem (CID 141155801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).