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

C22H22N2O4 — CID 3194310

IUPACN-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C22H22N2O4/c1-2-21(25)24(9-8-15-6-4-3-5-7-15)13-17-10-16-11-19-20(28-14-27-19)12-18(16)23-22(17)26/h3-7,10-12H,2,8-9,13-14H2,1H3,(H,23,26)
InChIKeyLBHIADOTBQKYAX-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.24
Rot. Bonds6

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

N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide (PubChem CID 3194310) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide
PubChem CID3194310
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C22H22N2O4/c1-2-21(25)24(9-8-15-6-4-3-5-7-15)13-17-10-16-11-19-20(28-14-27-19)12-18(16)23-22(17)26/h3-7,10-12H,2,8-9,13-14H2,1H3,(H,23,26)
InChIKeyLBHIADOTBQKYAX-UHFFFAOYSA-N
XLogP3.24
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)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-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide (CID 3194310) is N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide is CCC(=O)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide?
The InChIKey is LBHIADOTBQKYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-21(25)24(9-8-15-6-4-3-5-7-15)13-17-10-16-11-19-20(28-14-27-19)12-18(16)23-22(17)26/h3-7,10-12H,2,8-9,13-14H2,1H3,(H,23,26).
What are the key properties of N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide?
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3194310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).