N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide

C23H24N2O4 — CID 654838

IUPACN-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide
SMILESCCC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C23H24N2O4/c1-3-22(26)25(9-8-16-7-5-4-6-15(16)2)13-18-10-17-11-20-21(29-14-28-20)12-19(17)24-23(18)27/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,24,27)
InChIKeyVGLUOHHKIOCJTM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide

N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide (PubChem CID 654838) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide
PubChem CID654838
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide
SMILESCCC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C23H24N2O4/c1-3-22(26)25(9-8-16-7-5-4-6-15(16)2)13-18-10-17-11-20-21(29-14-28-20)12-19(17)24-23(18)27/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,24,27)
InChIKeyVGLUOHHKIOCJTM-UHFFFAOYSA-N
XLogP3.55
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide 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 N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide (CID 654838) is N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide is CCC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide?
The InChIKey is VGLUOHHKIOCJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-22(26)25(9-8-16-7-5-4-6-15(16)2)13-18-10-17-11-20-21(29-14-28-20)12-19(17)24-23(18)27/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide?
N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propanamide is sourced from PubChem (CID 654838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).