5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

C19H24N2O2 — CID 10086884

IUPAC5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOc1ccc(CCNC2CCCc3c2ccc(=O)n3C)cc1
InChIInChI=1S/C19H24N2O2/c1-21-18-5-3-4-17(16(18)10-11-19(21)22)20-13-12-14-6-8-15(23-2)9-7-14/h6-11,17,20H,3-5,12-13H2,1-2H3
InChIKeySBRBJWYQOXCHCR-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.60
Rot. Bonds5

About 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10086884) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10086884
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOc1ccc(CCNC2CCCc3c2ccc(=O)n3C)cc1
InChIInChI=1S/C19H24N2O2/c1-21-18-5-3-4-17(16(18)10-11-19(21)22)20-13-12-14-6-8-15(23-2)9-7-14/h6-11,17,20H,3-5,12-13H2,1-2H3
InChIKeySBRBJWYQOXCHCR-UHFFFAOYSA-N
XLogP2.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-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-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 10086884) is 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is COc1ccc(CCNC2CCCc3c2ccc(=O)n3C)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is SBRBJWYQOXCHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21-18-5-3-4-17(16(18)10-11-19(21)22)20-13-12-14-6-8-15(23-2)9-7-14/h6-11,17,20H,3-5,12-13H2,1-2H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 312.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10086884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).